REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1sjc_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKLSGVELRR VQMPLVAPFR TSFGTQSVRE LLLLRAVTPA GEGWGECVTM DATA SEQUENCE AGPLYSSEYN DGAEHVLRHY LIPALLAAED ITAAKVTPLL AKFKGHRMAK DATA SEQUENCE GALEMAVLDA ELRAHERSFA AELGSVRDSV PCGVSVGIMD TIPQLLDVVG DATA SEQUENCE GYLDEGYVRI KLKIEPGWDV EPVRAVRERF GDDVLLQVDA NTAYTLGDAP DATA SEQUENCE QLARLDPFGL LLIEQPLEEE DVLGHAELAR RIQTPICLDE SIVSARAAAD DATA SEQUENCE AIKLGAVQIV NIKPGRVGGY LEARRVHDVC AAHGIPVWCG GMIETGLGRA DATA SEQUENCE ANVALASLPN FTLPGDTSAS DRFYKTDITE PFVLSGGHLP VPTGPGLGVA DATA SEQUENCE PIPELLDEVT TAKVWIG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.305 176.300 0.009 0.000 1.140 1 M CA 0.000 55.307 55.300 0.011 0.000 0.988 1 M CB 0.000 32.614 32.600 0.023 0.000 1.302 2 K N 3.532 123.935 120.400 0.005 0.000 2.397 2 K HA 0.588 4.908 4.320 0.000 0.000 0.253 2 K C -1.704 174.897 176.600 0.001 0.000 0.932 2 K CA -0.832 55.457 56.287 0.004 0.000 0.795 2 K CB 1.866 34.369 32.500 0.005 0.000 1.159 2 K HN 0.681 nan 8.250 nan 0.000 0.424 3 L N 3.239 124.457 121.223 -0.007 0.000 2.319 3 L HA 0.178 4.518 4.340 0.000 0.000 0.280 3 L C 0.659 177.524 176.870 -0.009 0.000 1.099 3 L CA 0.862 55.691 54.840 -0.019 0.000 0.828 3 L CB 1.336 43.368 42.059 -0.044 0.000 1.150 3 L HN 0.731 nan 8.230 nan 0.000 0.442 4 S N 2.457 118.167 115.700 0.018 0.000 2.356 4 S HA 0.506 4.976 4.470 0.000 0.000 0.219 4 S C 0.605 175.247 174.600 0.070 0.000 1.036 4 S CA 0.476 58.727 58.200 0.085 0.000 0.965 4 S CB 0.033 63.320 63.200 0.145 0.000 0.864 4 S HN 0.931 nan 8.310 nan 0.000 0.471 5 G N -0.158 108.602 108.800 -0.066 0.000 2.349 5 G HA2 0.479 4.439 3.960 0.000 0.000 0.294 5 G HA3 0.479 4.439 3.960 0.000 0.000 0.294 5 G C -2.093 172.419 174.900 -0.647 0.000 1.380 5 G CA -0.619 44.143 45.100 -0.563 0.000 0.811 5 G HN 0.159 nan 8.290 nan 0.000 0.519 6 V N -0.014 119.333 119.914 -0.946 0.000 2.841 6 V HA 0.679 4.800 4.120 0.000 0.000 0.310 6 V C -0.549 175.211 176.094 -0.557 0.000 1.090 6 V CA -0.767 61.190 62.300 -0.572 0.000 0.930 6 V CB 1.971 33.573 31.823 -0.367 0.000 1.014 6 V HN 0.909 nan 8.190 nan 0.000 0.425 7 E N 3.153 123.214 120.200 -0.231 0.000 2.145 7 E HA 0.559 4.909 4.350 0.000 0.000 0.270 7 E C -1.747 174.821 176.600 -0.054 0.000 0.906 7 E CA -0.668 55.704 56.400 -0.046 0.000 0.761 7 E CB 1.679 31.455 29.700 0.126 0.000 1.116 7 E HN 0.572 nan 8.360 nan 0.000 0.408 8 L N 4.785 125.984 121.223 -0.040 0.000 2.275 8 L HA 0.451 4.792 4.340 0.000 0.000 0.288 8 L C -0.057 176.839 176.870 0.043 0.000 1.046 8 L CA -0.093 54.740 54.840 -0.012 0.000 0.805 8 L CB 1.065 43.093 42.059 -0.052 0.000 1.193 8 L HN 0.509 nan 8.230 nan 0.000 0.426 9 R N 2.525 123.072 120.500 0.079 0.000 2.670 9 R HA 0.612 4.952 4.340 0.000 0.000 0.289 9 R C -1.004 175.336 176.300 0.065 0.000 0.965 9 R CA -1.020 55.134 56.100 0.090 0.000 0.899 9 R CB 1.580 31.966 30.300 0.143 0.000 1.173 9 R HN 0.441 nan 8.270 nan 0.000 0.456 10 R N 1.222 121.752 120.500 0.050 0.000 2.312 10 R HA 0.480 4.820 4.340 0.000 0.000 0.311 10 R C -0.948 175.370 176.300 0.030 0.000 1.004 10 R CA -0.488 55.636 56.100 0.040 0.000 0.902 10 R CB 1.691 32.014 30.300 0.038 0.000 1.073 10 R HN 0.205 nan 8.270 nan 0.000 0.457 11 V N 2.472 122.397 119.914 0.019 0.000 2.735 11 V HA 0.415 4.536 4.120 0.000 0.000 0.310 11 V C -0.768 175.322 176.094 -0.006 0.000 1.061 11 V CA -0.774 61.523 62.300 -0.006 0.000 0.913 11 V CB 2.053 33.855 31.823 -0.034 0.000 1.005 11 V HN 0.656 nan 8.190 nan 0.000 0.428 12 Q N 3.871 123.663 119.800 -0.013 0.000 2.309 12 Q HA 0.712 5.053 4.340 0.000 0.000 0.270 12 Q C -1.459 174.534 176.000 -0.011 0.000 1.023 12 Q CA -0.424 55.383 55.803 0.005 0.000 0.758 12 Q CB 1.749 30.500 28.738 0.022 0.000 1.247 12 Q HN 0.757 nan 8.270 nan 0.000 0.455 13 M N 4.878 124.481 119.600 0.005 0.000 2.393 13 M HA 0.522 5.002 4.480 0.000 0.000 0.316 13 M C -2.440 173.973 176.300 0.188 0.000 1.087 13 M CA -2.032 53.273 55.300 0.009 0.000 0.937 13 M CB 2.328 34.736 32.600 -0.321 0.000 1.668 13 M HN 0.363 nan 8.290 nan 0.000 0.438 14 P HA 0.322 nan 4.420 nan 0.000 0.286 14 P C -1.118 176.352 177.300 0.283 0.000 1.269 14 P CA -0.292 62.925 63.100 0.195 0.000 0.787 14 P CB 0.511 32.288 31.700 0.128 0.000 0.920 15 L N 3.487 124.829 121.223 0.198 0.000 2.349 15 L HA 0.131 4.471 4.340 0.000 0.000 0.275 15 L C 1.902 178.846 176.870 0.124 0.000 1.115 15 L CA -0.642 54.282 54.840 0.141 0.000 0.820 15 L CB 0.882 43.021 42.059 0.135 0.000 1.135 15 L HN 0.197 nan 8.230 nan 0.000 0.445 16 V N 2.663 122.637 119.914 0.100 0.000 2.370 16 V HA -0.237 3.883 4.120 0.000 0.000 0.252 16 V C 0.962 177.095 176.094 0.065 0.000 1.068 16 V CA 2.082 64.426 62.300 0.073 0.000 1.061 16 V CB -0.551 31.298 31.823 0.043 0.000 0.656 16 V HN 0.888 nan 8.190 nan 0.000 0.455 17 A N -0.887 121.982 122.820 0.083 0.000 2.459 17 A HA 0.709 5.029 4.320 0.000 0.000 0.296 17 A C -2.955 174.712 177.584 0.140 0.000 1.039 17 A CA -1.409 50.680 52.037 0.088 0.000 0.698 17 A CB 1.126 20.166 19.000 0.067 0.000 1.261 17 A HN 0.130 nan 8.150 nan 0.000 0.405 18 P HA 0.112 nan 4.420 nan 0.000 0.264 18 P C -0.876 176.545 177.300 0.201 0.000 1.179 18 P CA 0.600 63.775 63.100 0.125 0.000 0.763 18 P CB 0.099 31.830 31.700 0.051 0.000 0.806 19 F N 3.164 123.127 119.950 0.022 0.000 2.375 19 F HA 0.400 4.927 4.527 0.000 0.000 0.361 19 F C 0.586 176.346 175.800 -0.067 0.000 1.117 19 F CA -0.993 57.019 58.000 0.020 0.000 1.037 19 F CB 1.049 40.103 39.000 0.091 0.000 1.192 19 F HN 0.133 nan 8.300 nan 0.000 0.452 20 R N 4.532 124.632 120.500 -0.667 0.000 2.393 20 R HA 0.530 4.870 4.340 0.000 0.000 0.310 20 R C -0.587 175.240 176.300 -0.787 0.000 0.968 20 R CA -0.211 55.519 56.100 -0.617 0.000 0.867 20 R CB 1.399 31.444 30.300 -0.425 0.000 1.124 20 R HN 0.787 nan 8.270 nan 0.000 0.450 21 T N -0.642 113.500 114.554 -0.687 0.000 2.807 21 T HA 0.168 4.518 4.350 0.000 0.000 0.277 21 T C 1.262 175.724 174.700 -0.395 0.000 1.006 21 T CA -0.133 61.628 62.100 -0.565 0.000 1.006 21 T CB 1.238 69.691 68.868 -0.692 0.000 1.274 21 T HN 0.536 nan 8.240 nan 0.000 0.569 22 S N 0.374 115.956 115.700 -0.197 0.000 2.399 22 S HA -0.111 4.359 4.470 0.000 0.000 0.231 22 S C 1.593 176.173 174.600 -0.035 0.000 1.022 22 S CA 1.291 59.447 58.200 -0.073 0.000 0.983 22 S CB -1.182 62.038 63.200 0.032 0.000 0.803 22 S HN 0.824 nan 8.310 nan 0.000 0.480 23 F N 0.590 120.526 119.950 -0.024 0.000 2.776 23 F HA 0.680 5.207 4.527 0.000 0.000 0.300 23 F C 0.909 176.696 175.800 -0.022 0.000 1.116 23 F CA -0.306 57.687 58.000 -0.012 0.000 1.375 23 F CB -0.310 38.703 39.000 0.022 0.000 1.109 23 F HN 0.477 nan 8.300 nan 0.000 0.585 24 G N -0.332 108.242 108.800 -0.376 0.000 2.356 24 G HA2 0.336 4.296 3.960 0.000 0.000 0.288 24 G HA3 0.336 4.296 3.960 0.000 0.000 0.288 24 G C -1.531 173.178 174.900 -0.318 0.000 1.302 24 G CA -0.557 44.400 45.100 -0.239 0.000 0.887 24 G HN 0.097 nan 8.290 nan 0.000 0.521 25 T N 0.420 114.872 114.554 -0.171 0.000 2.829 25 T HA 0.655 5.005 4.350 0.000 0.000 0.280 25 T C -0.389 174.285 174.700 -0.044 0.000 0.999 25 T CA -0.267 61.748 62.100 -0.142 0.000 0.983 25 T CB 1.848 70.643 68.868 -0.122 0.000 0.968 25 T HN 0.594 nan 8.240 nan 0.000 0.446 26 Q N 1.320 121.123 119.800 0.005 0.000 2.341 26 Q HA 0.507 4.848 4.340 0.000 0.000 0.268 26 Q C 0.170 176.237 176.000 0.112 0.000 1.013 26 Q CA -0.347 55.511 55.803 0.090 0.000 0.798 26 Q CB 1.045 29.886 28.738 0.172 0.000 1.253 26 Q HN 0.672 nan 8.270 nan 0.000 0.457 27 S N 1.541 117.293 115.700 0.086 0.000 2.545 27 S HA 0.230 4.700 4.470 0.000 0.000 0.232 27 S C -0.174 174.486 174.600 0.099 0.000 1.070 27 S CA -0.007 58.245 58.200 0.087 0.000 0.923 27 S CB 0.987 64.224 63.200 0.061 0.000 0.806 27 S HN 0.412 nan 8.310 nan 0.000 0.506 28 V N 2.488 122.458 119.914 0.094 0.000 2.638 28 V HA 0.498 4.618 4.120 0.000 0.000 0.306 28 V C -0.696 175.461 176.094 0.104 0.000 1.052 28 V CA -0.865 61.498 62.300 0.105 0.000 0.885 28 V CB 1.988 33.860 31.823 0.083 0.000 0.999 28 V HN 0.071 nan 8.190 nan 0.000 0.424 29 R N 3.242 123.824 120.500 0.138 0.000 2.202 29 R HA 0.387 4.728 4.340 0.000 0.000 0.334 29 R C -0.367 175.982 176.300 0.082 0.000 1.036 29 R CA -0.203 55.968 56.100 0.117 0.000 0.878 29 R CB 0.912 31.327 30.300 0.192 0.000 1.067 29 R HN 0.728 nan 8.270 nan 0.000 0.457 30 E N 4.923 125.163 120.200 0.066 0.000 2.055 30 E HA 0.203 4.553 4.350 0.000 0.000 0.274 30 E C -0.238 176.388 176.600 0.044 0.000 0.949 30 E CA -0.382 56.050 56.400 0.052 0.000 0.775 30 E CB 1.137 30.875 29.700 0.062 0.000 1.097 30 E HN 0.295 nan 8.360 nan 0.000 0.404 31 L N 2.349 123.588 121.223 0.026 0.000 2.635 31 L HA 0.593 4.934 4.340 0.000 0.000 0.250 31 L C -0.598 176.289 176.870 0.029 0.000 1.117 31 L CA -0.978 53.875 54.840 0.021 0.000 0.834 31 L CB 0.338 42.396 42.059 -0.000 0.000 1.544 31 L HN 0.341 nan 8.230 nan 0.000 0.511 32 L N 0.459 121.702 121.223 0.033 0.000 2.562 32 L HA 0.549 4.890 4.340 0.000 0.000 0.266 32 L C -1.455 175.455 176.870 0.067 0.000 0.949 32 L CA 0.143 55.010 54.840 0.044 0.000 0.879 32 L CB 1.602 43.682 42.059 0.034 0.000 1.278 32 L HN 0.332 nan 8.230 nan 0.000 0.404 33 L N 4.520 125.803 121.223 0.101 0.000 2.333 33 L HA 0.759 5.099 4.340 0.000 0.000 0.269 33 L C -1.232 175.752 176.870 0.190 0.000 1.010 33 L CA -0.949 54.000 54.840 0.182 0.000 0.818 33 L CB 1.836 44.052 42.059 0.262 0.000 1.306 33 L HN 0.280 nan 8.230 nan 0.000 0.430 34 L N 1.810 123.153 121.223 0.199 0.000 2.362 34 L HA 0.600 4.940 4.340 0.000 0.000 0.271 34 L C -0.351 176.431 176.870 -0.146 0.000 1.002 34 L CA -0.474 54.386 54.840 0.033 0.000 0.818 34 L CB 1.720 43.765 42.059 -0.024 0.000 1.298 34 L HN 0.488 nan 8.230 nan 0.000 0.420 35 R N 1.539 121.802 120.500 -0.396 0.000 2.371 35 R HA 0.805 5.145 4.340 0.000 0.000 0.312 35 R C -0.889 175.154 176.300 -0.428 0.000 0.980 35 R CA -0.389 55.222 56.100 -0.814 0.000 0.867 35 R CB 1.212 30.913 30.300 -0.998 0.000 1.163 35 R HN 0.867 nan 8.270 nan 0.000 0.492 36 A N 3.278 125.882 122.820 -0.360 0.000 2.354 36 A HA 0.527 4.847 4.320 0.000 0.000 0.269 36 A C -0.634 176.854 177.584 -0.160 0.000 1.109 36 A CA -0.403 51.509 52.037 -0.209 0.000 0.800 36 A CB 1.223 20.144 19.000 -0.131 0.000 1.045 36 A HN 0.462 nan 8.150 nan 0.000 0.489 37 V N 2.170 122.041 119.914 -0.072 0.000 2.531 37 V HA 0.646 4.766 4.120 0.000 0.000 0.301 37 V C 0.285 176.393 176.094 0.023 0.000 1.034 37 V CA 0.070 62.376 62.300 0.009 0.000 0.865 37 V CB 1.868 33.785 31.823 0.155 0.000 0.995 37 V HN 1.212 nan 8.190 nan 0.000 0.424 38 T N 2.480 117.039 114.554 0.008 0.000 2.916 38 T HA 0.566 4.916 4.350 0.000 0.000 0.292 38 T C -1.850 172.855 174.700 0.009 0.000 1.055 38 T CA -2.026 60.080 62.100 0.009 0.000 1.009 38 T CB 2.360 71.226 68.868 -0.002 0.000 1.118 38 T HN 0.366 nan 8.240 nan 0.000 0.497 39 P HA -0.200 nan 4.420 nan 0.000 0.217 39 P C 1.556 178.853 177.300 -0.006 0.000 1.162 39 P CA 2.207 65.308 63.100 0.002 0.000 0.901 39 P CB -0.435 31.264 31.700 -0.001 0.000 0.793 40 A N -0.862 121.952 122.820 -0.011 0.000 1.854 40 A HA 0.301 4.621 4.320 0.000 0.000 0.214 40 A C 1.561 179.139 177.584 -0.011 0.000 1.192 40 A CA 1.870 53.897 52.037 -0.016 0.000 0.611 40 A CB -1.122 17.861 19.000 -0.029 0.000 0.832 40 A HN 0.433 nan 8.150 nan 0.000 0.442 41 G N -1.872 106.923 108.800 -0.009 0.000 2.772 41 G HA2 0.544 4.504 3.960 0.000 0.000 0.284 41 G HA3 0.544 4.504 3.960 0.000 0.000 0.284 41 G C -1.469 173.421 174.900 -0.017 0.000 1.217 41 G CA -0.436 44.661 45.100 -0.005 0.000 0.831 41 G HN 0.264 nan 8.290 nan 0.000 0.523 42 E N -1.348 118.839 120.200 -0.023 0.000 2.359 42 E HA 0.606 4.956 4.350 0.000 0.000 0.266 42 E C -0.772 175.782 176.600 -0.078 0.000 0.920 42 E CA -1.011 55.336 56.400 -0.087 0.000 0.788 42 E CB 2.617 32.237 29.700 -0.132 0.000 1.279 42 E HN 0.749 nan 8.360 nan 0.000 0.438 43 G N 0.599 109.292 108.800 -0.178 0.000 2.667 43 G HA2 0.513 4.474 3.960 0.000 0.000 0.298 43 G HA3 0.513 4.474 3.960 0.000 0.000 0.298 43 G C -2.023 172.738 174.900 -0.233 0.000 1.377 43 G CA -0.680 44.372 45.100 -0.081 0.000 0.964 43 G HN 0.337 nan 8.290 nan 0.000 0.493 44 W N 0.264 121.574 121.300 0.016 0.000 2.573 44 W HA 0.631 5.291 4.660 0.000 0.000 0.326 44 W C 0.410 176.933 176.519 0.008 0.000 1.049 44 W CA -0.447 56.900 57.345 0.003 0.000 1.220 44 W CB 2.786 32.233 29.460 -0.021 0.000 1.373 44 W HN 0.775 nan 8.180 nan 0.000 0.507 45 G N 1.641 110.601 108.800 0.266 0.000 2.495 45 G HA2 0.550 4.511 3.960 0.000 0.000 0.318 45 G HA3 0.550 4.511 3.960 0.000 0.000 0.318 45 G C -1.802 173.216 174.900 0.196 0.000 1.257 45 G CA -0.632 44.584 45.100 0.195 0.000 0.962 45 G HN 0.410 nan 8.290 nan 0.000 0.483 46 E N 0.851 121.145 120.200 0.156 0.000 2.199 46 E HA 0.422 4.772 4.350 0.000 0.000 0.265 46 E C -0.951 175.706 176.600 0.095 0.000 0.882 46 E CA -0.704 55.764 56.400 0.113 0.000 0.759 46 E CB 1.806 31.555 29.700 0.082 0.000 1.148 46 E HN 0.471 nan 8.360 nan 0.000 0.412 47 C N 4.738 124.077 119.300 0.065 0.000 2.350 47 C HA 0.339 4.799 4.460 0.000 0.000 0.348 47 C C 1.502 176.503 174.990 0.018 0.000 1.260 47 C CA -0.437 58.606 59.018 0.042 0.000 1.966 47 C CB 0.101 27.863 27.740 0.035 0.000 2.380 47 C HN 0.745 nan 8.230 nan 0.000 0.535 48 V N 3.245 123.155 119.914 -0.006 0.000 3.608 48 V HA 0.140 4.260 4.120 0.000 0.000 0.269 48 V C 1.217 177.279 176.094 -0.052 0.000 1.245 48 V CA 0.791 63.063 62.300 -0.047 0.000 1.138 48 V CB -1.870 29.896 31.823 -0.095 0.000 0.841 48 V HN 0.971 nan 8.190 nan 0.000 0.451 49 T N -0.365 114.182 114.554 -0.011 0.000 2.716 49 T HA 0.347 4.697 4.350 0.000 0.000 0.335 49 T C -0.090 174.631 174.700 0.034 0.000 1.081 49 T CA 0.214 62.325 62.100 0.019 0.000 1.073 49 T CB 0.642 69.540 68.868 0.049 0.000 0.993 49 T HN 0.402 nan 8.240 nan 0.000 0.547 50 M N -0.092 119.555 119.600 0.077 0.000 2.745 50 M HA 0.581 5.061 4.480 0.000 0.000 0.290 50 M C 1.876 178.263 176.300 0.145 0.000 1.262 50 M CA -1.012 54.346 55.300 0.098 0.000 0.795 50 M CB 1.347 34.014 32.600 0.110 0.000 1.758 50 M HN 0.733 nan 8.290 nan 0.000 0.461 51 A N 0.451 123.352 122.820 0.135 0.000 1.884 51 A HA 0.049 4.369 4.320 0.000 0.000 0.219 51 A C 0.982 178.672 177.584 0.178 0.000 1.197 51 A CA 2.224 54.350 52.037 0.149 0.000 0.637 51 A CB -1.096 17.970 19.000 0.110 0.000 0.827 51 A HN 0.881 nan 8.150 nan 0.000 0.450 52 G N -2.456 106.404 108.800 0.101 0.000 2.568 52 G HA2 0.519 4.480 3.960 0.000 0.000 0.313 52 G HA3 0.519 4.480 3.960 0.000 0.000 0.313 52 G C -2.920 171.967 174.900 -0.022 0.000 1.227 52 G CA -1.160 43.916 45.100 -0.039 0.000 0.979 52 G HN 0.062 nan 8.290 nan 0.000 0.486 53 P HA 0.211 nan 4.420 nan 0.000 0.218 53 P C 0.651 177.891 177.300 -0.101 0.000 1.793 53 P CA -0.148 62.902 63.100 -0.084 0.000 0.941 53 P CB -0.078 31.530 31.700 -0.154 0.000 1.919 54 L N -1.476 119.671 121.223 -0.127 0.000 2.470 54 L HA 0.110 4.450 4.340 0.000 0.000 0.219 54 L C 2.197 178.707 176.870 -0.600 0.000 1.071 54 L CA 0.475 55.175 54.840 -0.233 0.000 0.850 54 L CB -0.502 41.547 42.059 -0.016 0.000 1.040 54 L HN 0.072 nan 8.230 nan 0.000 0.475 55 Y N 0.958 120.781 120.300 -0.795 0.000 2.436 55 Y HA 0.106 4.656 4.550 0.000 0.000 0.288 55 Y C 1.199 176.903 175.900 -0.325 0.000 1.112 55 Y CA 0.343 57.977 58.100 -0.777 0.000 1.220 55 Y CB 0.631 38.733 38.460 -0.596 0.000 1.073 55 Y HN 0.188 nan 8.280 nan 0.000 0.552 56 S N -1.376 114.300 115.700 -0.040 0.000 2.672 56 S HA 0.221 4.691 4.470 0.000 0.000 0.271 56 S C 0.558 175.165 174.600 0.011 0.000 1.171 56 S CA -0.251 57.941 58.200 -0.013 0.000 0.817 56 S CB 0.722 64.000 63.200 0.131 0.000 1.150 56 S HN 0.310 nan 8.310 nan 0.000 0.478 57 S N -0.466 115.242 115.700 0.013 0.000 2.515 57 S HA 0.101 4.571 4.470 0.000 0.000 0.231 57 S C 0.253 174.947 174.600 0.157 0.000 0.987 57 S CA 0.226 58.453 58.200 0.045 0.000 0.936 57 S CB -0.698 62.502 63.200 -0.000 0.000 0.766 57 S HN 0.717 nan 8.310 nan 0.000 0.528 58 E N 1.170 121.454 120.200 0.140 0.000 2.283 58 E HA 0.466 4.816 4.350 0.000 0.000 0.278 58 E C -1.032 175.739 176.600 0.285 0.000 1.027 58 E CA -0.768 55.736 56.400 0.174 0.000 0.843 58 E CB 0.753 30.505 29.700 0.086 0.000 1.062 58 E HN 0.644 nan 8.360 nan 0.000 0.401 59 Y N 0.465 120.794 120.300 0.049 0.000 2.562 59 Y HA 0.374 4.925 4.550 0.000 0.000 0.345 59 Y C 0.614 176.548 175.900 0.055 0.000 1.045 59 Y CA -1.493 56.633 58.100 0.043 0.000 1.028 59 Y CB 0.193 38.675 38.460 0.037 0.000 1.297 59 Y HN 0.257 nan 8.280 nan 0.000 0.463 60 N N 1.169 119.931 118.700 0.104 0.000 2.106 60 N HA -0.258 4.482 4.740 0.000 0.000 0.200 60 N C 0.881 176.355 175.510 -0.061 0.000 1.014 60 N CA 2.415 55.484 53.050 0.033 0.000 0.891 60 N CB -0.261 38.277 38.487 0.085 0.000 1.069 60 N HN 0.849 nan 8.380 nan 0.000 0.490 61 D N -0.554 119.801 120.400 -0.075 0.000 2.178 61 D HA -0.033 4.607 4.640 0.000 0.000 0.202 61 D C 1.920 178.057 176.300 -0.272 0.000 0.974 61 D CA 1.163 55.099 54.000 -0.106 0.000 0.841 61 D CB -0.622 40.213 40.800 0.059 0.000 0.953 61 D HN 0.413 nan 8.370 nan 0.000 0.478 62 G N 0.716 109.059 108.800 -0.762 0.000 2.421 62 G HA2 -0.073 3.887 3.960 0.000 0.000 0.217 62 G HA3 -0.073 3.887 3.960 0.000 0.000 0.217 62 G C 1.697 176.484 174.900 -0.188 0.000 1.143 62 G CA 0.924 45.703 45.100 -0.536 0.000 0.784 62 G HN 0.369 nan 8.290 nan 0.000 0.541 63 A N 0.877 123.592 122.820 -0.175 0.000 1.845 63 A HA -0.036 4.285 4.320 0.000 0.000 0.215 63 A C 2.107 179.664 177.584 -0.045 0.000 1.195 63 A CA 1.966 53.969 52.037 -0.056 0.000 0.616 63 A CB -0.641 18.341 19.000 -0.029 0.000 0.832 63 A HN 0.400 nan 8.150 nan 0.000 0.443 64 E N -1.123 119.054 120.200 -0.039 0.000 2.086 64 E HA -0.313 4.038 4.350 0.000 0.000 0.200 64 E C 2.029 178.618 176.600 -0.017 0.000 1.012 64 E CA 1.504 57.887 56.400 -0.029 0.000 0.812 64 E CB -0.355 29.341 29.700 -0.006 0.000 0.743 64 E HN 0.756 nan 8.360 nan 0.000 0.453 65 H N 0.120 119.162 119.070 -0.046 0.000 2.265 65 H HA -0.141 4.415 4.556 0.000 0.000 0.295 65 H C 2.302 177.658 175.328 0.048 0.000 1.084 65 H CA 1.870 57.935 56.048 0.029 0.000 1.261 65 H CB -0.387 29.374 29.762 -0.002 0.000 1.360 65 H HN 0.177 nan 8.280 nan 0.000 0.487 66 V N 0.950 120.903 119.914 0.065 0.000 2.407 66 V HA -0.206 3.914 4.120 0.000 0.000 0.248 66 V C 2.808 178.833 176.094 -0.114 0.000 1.055 66 V CA 1.510 63.791 62.300 -0.033 0.000 1.049 66 V CB -0.572 30.999 31.823 -0.420 0.000 0.662 66 V HN 0.305 nan 8.190 nan 0.000 0.455 67 L N -0.489 120.655 121.223 -0.131 0.000 2.012 67 L HA -0.196 4.145 4.340 0.000 0.000 0.210 67 L C 2.841 179.573 176.870 -0.229 0.000 1.073 67 L CA 2.113 56.859 54.840 -0.157 0.000 0.748 67 L CB -0.535 41.452 42.059 -0.120 0.000 0.891 67 L HN 0.254 nan 8.230 nan 0.000 0.431 68 R N -1.172 119.164 120.500 -0.273 0.000 2.070 68 R HA -0.141 4.199 4.340 0.000 0.000 0.232 68 R C 2.257 178.180 176.300 -0.630 0.000 1.138 68 R CA 1.420 57.247 56.100 -0.454 0.000 0.936 68 R CB -0.468 29.515 30.300 -0.527 0.000 0.839 68 R HN 0.502 nan 8.270 nan 0.000 0.429 69 H N -1.701 117.085 119.070 -0.473 0.000 2.497 69 H HA 0.014 4.571 4.556 0.000 0.000 0.282 69 H C 0.987 175.836 175.328 -0.799 0.000 1.003 69 H CA 1.126 56.781 56.048 -0.654 0.000 1.307 69 H CB 0.393 29.642 29.762 -0.855 0.000 1.437 69 H HN 0.286 nan 8.280 nan 0.000 0.544 70 Y N -0.345 119.771 120.300 -0.306 0.000 2.808 70 Y HA 0.076 4.626 4.550 0.000 0.000 0.244 70 Y C 2.597 178.138 175.900 -0.598 0.000 1.033 70 Y CA -0.242 57.520 58.100 -0.564 0.000 1.415 70 Y CB -0.167 37.763 38.460 -0.884 0.000 1.420 70 Y HN -0.160 nan 8.280 nan 0.000 0.484 71 L N 0.309 121.312 121.223 -0.366 0.000 1.955 71 L HA -0.232 4.108 4.340 0.000 0.000 0.213 71 L C 2.165 178.955 176.870 -0.134 0.000 1.072 71 L CA 1.782 56.486 54.840 -0.226 0.000 0.755 71 L CB -0.943 41.026 42.059 -0.150 0.000 0.888 71 L HN 0.274 nan 8.230 nan 0.000 0.432 72 I N -0.039 120.428 120.570 -0.172 0.000 2.118 72 I HA -0.227 3.943 4.170 0.000 0.000 0.241 72 I C -0.178 175.848 176.117 -0.152 0.000 1.070 72 I CA 1.612 62.810 61.300 -0.171 0.000 1.327 72 I CB -1.768 36.093 38.000 -0.231 0.000 1.034 72 I HN 0.204 nan 8.210 nan 0.000 0.405 73 P HA -0.234 nan 4.420 nan 0.000 0.216 73 P C 1.508 178.776 177.300 -0.053 0.000 1.154 73 P CA 2.218 65.237 63.100 -0.135 0.000 0.865 73 P CB -0.123 31.478 31.700 -0.165 0.000 0.789 74 A N -0.538 122.280 122.820 -0.003 0.000 1.908 74 A HA -0.181 4.140 4.320 0.000 0.000 0.218 74 A C 2.274 179.886 177.584 0.046 0.000 1.181 74 A CA 1.626 53.719 52.037 0.093 0.000 0.627 74 A CB -1.615 17.539 19.000 0.258 0.000 0.818 74 A HN 0.146 nan 8.150 nan 0.000 0.445 75 L N -0.927 120.301 121.223 0.008 0.000 2.156 75 L HA -0.090 4.250 4.340 0.000 0.000 0.208 75 L C 2.468 179.324 176.870 -0.024 0.000 1.095 75 L CA 0.562 55.400 54.840 -0.004 0.000 0.770 75 L CB -0.578 41.470 42.059 -0.019 0.000 0.914 75 L HN 0.347 nan 8.230 nan 0.000 0.439 76 L N 0.303 121.496 121.223 -0.050 0.000 2.012 76 L HA -0.193 4.147 4.340 0.000 0.000 0.210 76 L C 2.822 179.677 176.870 -0.026 0.000 1.073 76 L CA 1.302 56.110 54.840 -0.054 0.000 0.748 76 L CB -0.759 41.248 42.059 -0.087 0.000 0.891 76 L HN 0.233 nan 8.230 nan 0.000 0.431 77 A N -0.139 122.672 122.820 -0.015 0.000 2.186 77 A HA 0.113 4.433 4.320 0.000 0.000 0.219 77 A C 1.269 178.856 177.584 0.005 0.000 1.159 77 A CA 1.078 53.114 52.037 -0.001 0.000 0.680 77 A CB -0.674 18.332 19.000 0.010 0.000 0.787 77 A HN 0.350 nan 8.150 nan 0.000 0.467 78 A N -0.475 122.349 122.820 0.006 0.000 2.303 78 A HA 0.580 4.901 4.320 0.000 0.000 0.317 78 A C 0.731 178.318 177.584 0.005 0.000 1.149 78 A CA -0.170 51.873 52.037 0.009 0.000 0.822 78 A CB 0.541 19.549 19.000 0.014 0.000 1.131 78 A HN 0.291 nan 8.150 nan 0.000 0.493 79 E N 0.802 121.006 120.200 0.006 0.000 2.008 79 E HA -0.031 4.320 4.350 0.000 0.000 0.191 79 E C -0.105 176.499 176.600 0.007 0.000 0.986 79 E CA 1.108 57.512 56.400 0.006 0.000 0.807 79 E CB 0.022 29.725 29.700 0.006 0.000 0.766 79 E HN 0.655 nan 8.360 nan 0.000 0.450 80 D N 0.252 120.658 120.400 0.009 0.000 2.280 80 D HA 0.312 4.952 4.640 0.000 0.000 0.236 80 D C -0.599 175.709 176.300 0.013 0.000 1.082 80 D CA -0.308 53.699 54.000 0.011 0.000 0.834 80 D CB 1.053 41.861 40.800 0.013 0.000 1.100 80 D HN -0.041 nan 8.370 nan 0.000 0.486 81 I N 1.585 122.163 120.570 0.014 0.000 2.493 81 I HA 0.305 4.475 4.170 0.000 0.000 0.298 81 I C 0.469 176.599 176.117 0.021 0.000 0.998 81 I CA -0.299 61.010 61.300 0.015 0.000 1.137 81 I CB 2.194 40.200 38.000 0.009 0.000 1.310 81 I HN 0.247 nan 8.210 nan 0.000 0.445 82 T N 1.684 116.250 114.554 0.021 0.000 2.932 82 T HA 0.614 4.965 4.350 0.000 0.000 0.318 82 T C 0.495 175.205 174.700 0.017 0.000 1.265 82 T CA -0.172 61.941 62.100 0.022 0.000 1.036 82 T CB 1.561 70.440 68.868 0.017 0.000 1.209 82 T HN 0.593 nan 8.240 nan 0.000 0.484 83 A N 2.331 125.159 122.820 0.013 0.000 1.865 83 A HA 0.218 4.539 4.320 0.000 0.000 0.217 83 A C 2.652 180.243 177.584 0.011 0.000 1.191 83 A CA 2.513 54.556 52.037 0.012 0.000 0.623 83 A CB -1.583 17.413 19.000 -0.006 0.000 0.826 83 A HN 1.687 nan 8.150 nan 0.000 0.444 84 A N -0.298 122.522 122.820 0.000 0.000 1.948 84 A HA -0.237 4.083 4.320 0.000 0.000 0.220 84 A C 2.052 179.642 177.584 0.011 0.000 1.177 84 A CA 2.066 54.105 52.037 0.002 0.000 0.636 84 A CB -0.493 18.503 19.000 -0.006 0.000 0.815 84 A HN 0.599 nan 8.150 nan 0.000 0.449 85 K N -0.509 119.899 120.400 0.013 0.000 2.432 85 K HA 0.099 4.419 4.320 0.000 0.000 0.196 85 K C 1.589 178.203 176.600 0.024 0.000 1.038 85 K CA 0.653 56.949 56.287 0.016 0.000 0.986 85 K CB -0.107 32.401 32.500 0.014 0.000 0.782 85 K HN 0.307 nan 8.250 nan 0.000 0.485 86 V N 1.391 121.322 119.914 0.029 0.000 2.392 86 V HA -0.291 3.830 4.120 0.000 0.000 0.249 86 V C 2.030 178.154 176.094 0.051 0.000 1.059 86 V CA 2.064 64.388 62.300 0.040 0.000 1.051 86 V CB -0.593 31.255 31.823 0.042 0.000 0.658 86 V HN 0.404 nan 8.190 nan 0.000 0.455 87 T N 0.508 115.087 114.554 0.041 0.000 2.595 87 T HA -0.122 4.228 4.350 0.000 0.000 0.264 87 T C 0.018 174.739 174.700 0.036 0.000 1.058 87 T CA 2.161 64.286 62.100 0.042 0.000 1.166 87 T CB -1.427 67.459 68.868 0.030 0.000 0.863 87 T HN 0.450 nan 8.240 nan 0.000 0.415 88 P HA -0.002 nan 4.420 nan 0.000 0.217 88 P C 1.512 178.817 177.300 0.008 0.000 1.148 88 P CA 0.995 64.100 63.100 0.009 0.000 0.828 88 P CB -0.269 31.434 31.700 0.005 0.000 0.783 89 L N -1.808 119.432 121.223 0.029 0.000 2.217 89 L HA -0.042 4.298 4.340 0.000 0.000 0.211 89 L C 2.059 178.980 176.870 0.085 0.000 1.107 89 L CA 1.031 55.898 54.840 0.045 0.000 0.783 89 L CB -0.500 41.593 42.059 0.057 0.000 0.919 89 L HN -0.062 nan 8.230 nan 0.000 0.442 90 L N -1.335 119.958 121.223 0.117 0.000 2.693 90 L HA 0.231 4.571 4.340 0.000 0.000 0.235 90 L C 2.374 179.329 176.870 0.141 0.000 1.127 90 L CA -0.068 54.924 54.840 0.253 0.000 0.914 90 L CB -0.238 41.978 42.059 0.261 0.000 1.193 90 L HN 0.049 nan 8.230 nan 0.000 0.502 91 A N 1.707 124.532 122.820 0.009 0.000 2.024 91 A HA -0.218 4.102 4.320 0.000 0.000 0.220 91 A C 2.342 179.846 177.584 -0.133 0.000 1.164 91 A CA 1.790 53.807 52.037 -0.033 0.000 0.643 91 A CB -0.341 18.640 19.000 -0.032 0.000 0.806 91 A HN 0.574 nan 8.150 nan 0.000 0.451 92 K N -1.173 119.022 120.400 -0.342 0.000 2.362 92 K HA -0.007 4.314 4.320 0.000 0.000 0.200 92 K C -0.437 175.867 176.600 -0.492 0.000 1.046 92 K CA 0.361 56.369 56.287 -0.464 0.000 0.952 92 K CB -0.336 31.817 32.500 -0.578 0.000 0.753 92 K HN 0.381 nan 8.250 nan 0.000 0.466 93 F N 2.910 122.865 119.950 0.009 0.000 2.420 93 F HA 0.258 4.785 4.527 0.000 0.000 0.352 93 F C 0.493 176.314 175.800 0.035 0.000 1.108 93 F CA -1.196 56.804 58.000 -0.000 0.000 1.162 93 F CB 0.855 39.850 39.000 -0.007 0.000 1.118 93 F HN -0.289 nan 8.300 nan 0.000 0.510 94 K N 2.958 123.471 120.400 0.189 0.000 2.322 94 K HA 0.425 4.746 4.320 0.000 0.000 0.283 94 K C 0.763 177.451 176.600 0.146 0.000 1.042 94 K CA 0.407 56.765 56.287 0.120 0.000 0.958 94 K CB 0.880 33.413 32.500 0.057 0.000 0.984 94 K HN 0.914 nan 8.250 nan 0.000 0.473 95 G N 2.227 111.064 108.800 0.063 0.000 2.527 95 G HA2 -0.329 3.631 3.960 0.000 0.000 0.268 95 G HA3 -0.329 3.631 3.960 0.000 0.000 0.268 95 G C -0.403 174.523 174.900 0.043 0.000 1.175 95 G CA 0.115 45.194 45.100 -0.036 0.000 0.962 95 G HN 0.907 nan 8.290 nan 0.000 0.560 96 H N 0.324 119.406 119.070 0.021 0.000 2.626 96 H HA -0.180 4.377 4.556 0.000 0.000 0.317 96 H C 2.003 177.343 175.328 0.019 0.000 1.140 96 H CA 1.417 57.473 56.048 0.013 0.000 1.134 96 H CB -0.991 28.770 29.762 -0.000 0.000 1.486 96 H HN 0.697 nan 8.280 nan 0.000 0.417 97 R N 0.114 120.654 120.500 0.066 0.000 2.075 97 R HA -0.060 4.280 4.340 0.000 0.000 0.232 97 R C 2.436 178.763 176.300 0.045 0.000 1.126 97 R CA 1.649 57.779 56.100 0.051 0.000 0.963 97 R CB -0.058 30.255 30.300 0.020 0.000 0.858 97 R HN 0.287 nan 8.270 nan 0.000 0.435 98 M N 0.397 120.021 119.600 0.039 0.000 2.159 98 M HA -0.134 4.346 4.480 0.000 0.000 0.263 98 M C 2.485 178.810 176.300 0.041 0.000 1.063 98 M CA 1.756 57.072 55.300 0.026 0.000 1.110 98 M CB -0.239 32.371 32.600 0.017 0.000 1.374 98 M HN 0.278 nan 8.290 nan 0.000 0.411 99 A N 0.530 123.387 122.820 0.061 0.000 1.872 99 A HA -0.131 4.189 4.320 0.000 0.000 0.214 99 A C 2.100 179.712 177.584 0.047 0.000 1.187 99 A CA 1.429 53.497 52.037 0.051 0.000 0.614 99 A CB -0.422 18.614 19.000 0.059 0.000 0.826 99 A HN 0.403 nan 8.150 nan 0.000 0.442 100 K N -0.547 119.894 120.400 0.067 0.000 2.097 100 K HA -0.096 4.225 4.320 0.000 0.000 0.206 100 K C 2.086 178.723 176.600 0.063 0.000 1.049 100 K CA 1.080 57.406 56.287 0.065 0.000 0.933 100 K CB -0.469 32.083 32.500 0.086 0.000 0.717 100 K HN 0.455 nan 8.250 nan 0.000 0.442 101 G N 1.574 110.409 108.800 0.058 0.000 2.442 101 G HA2 -0.280 3.680 3.960 0.000 0.000 0.219 101 G HA3 -0.280 3.680 3.960 0.000 0.000 0.219 101 G C 1.664 176.626 174.900 0.104 0.000 1.141 101 G CA 1.040 46.178 45.100 0.063 0.000 0.763 101 G HN 0.358 nan 8.290 nan 0.000 0.554 102 A N 0.476 123.348 122.820 0.086 0.000 1.877 102 A HA 0.082 4.402 4.320 0.000 0.000 0.216 102 A C 2.398 180.040 177.584 0.097 0.000 1.186 102 A CA 1.298 53.395 52.037 0.100 0.000 0.620 102 A CB -0.515 18.526 19.000 0.067 0.000 0.822 102 A HN 0.343 nan 8.150 nan 0.000 0.443 103 L N -0.682 120.577 121.223 0.060 0.000 1.989 103 L HA -0.229 4.112 4.340 0.000 0.000 0.211 103 L C 2.735 179.644 176.870 0.065 0.000 1.071 103 L CA 2.281 57.143 54.840 0.037 0.000 0.749 103 L CB -0.529 41.538 42.059 0.012 0.000 0.890 103 L HN 0.657 nan 8.230 nan 0.000 0.431 104 E N -0.118 120.132 120.200 0.085 0.000 2.065 104 E HA -0.346 4.004 4.350 0.000 0.000 0.201 104 E C 2.251 178.941 176.600 0.150 0.000 1.016 104 E CA 2.188 58.648 56.400 0.101 0.000 0.818 104 E CB -0.195 29.569 29.700 0.106 0.000 0.749 104 E HN 0.430 nan 8.360 nan 0.000 0.453 105 M N 0.285 120.019 119.600 0.223 0.000 2.073 105 M HA -0.247 4.234 4.480 0.000 0.000 0.258 105 M C 2.287 178.743 176.300 0.260 0.000 1.070 105 M CA 2.239 57.734 55.300 0.326 0.000 1.103 105 M CB -0.223 32.593 32.600 0.360 0.000 1.321 105 M HN 0.216 nan 8.290 nan 0.000 0.405 106 A N -0.442 122.476 122.820 0.163 0.000 1.883 106 A HA -0.137 4.183 4.320 0.000 0.000 0.217 106 A C 2.059 179.693 177.584 0.084 0.000 1.186 106 A CA 1.993 54.092 52.037 0.103 0.000 0.624 106 A CB -1.229 17.784 19.000 0.022 0.000 0.822 106 A HN 0.456 nan 8.150 nan 0.000 0.444 107 V N -0.326 119.628 119.914 0.068 0.000 2.332 107 V HA -0.245 3.875 4.120 0.000 0.000 0.248 107 V C 2.515 178.655 176.094 0.077 0.000 1.055 107 V CA 2.069 64.399 62.300 0.049 0.000 1.038 107 V CB -0.740 31.105 31.823 0.037 0.000 0.651 107 V HN 0.614 nan 8.190 nan 0.000 0.450 108 L N 0.668 121.952 121.223 0.103 0.000 2.093 108 L HA -0.148 4.192 4.340 0.000 0.000 0.208 108 L C 2.095 179.074 176.870 0.183 0.000 1.085 108 L CA 2.469 57.351 54.840 0.071 0.000 0.755 108 L CB -0.833 41.212 42.059 -0.023 0.000 0.904 108 L HN 0.449 nan 8.230 nan 0.000 0.435 109 D N -0.504 120.104 120.400 0.347 0.000 2.117 109 D HA -0.185 4.455 4.640 0.000 0.000 0.197 109 D C 2.087 178.514 176.300 0.212 0.000 0.987 109 D CA 1.443 55.691 54.000 0.413 0.000 0.829 109 D CB 0.003 40.962 40.800 0.265 0.000 0.961 109 D HN 0.434 nan 8.370 nan 0.000 0.460 110 A N 0.266 123.164 122.820 0.130 0.000 1.898 110 A HA -0.163 4.157 4.320 0.000 0.000 0.216 110 A C 2.202 179.835 177.584 0.082 0.000 1.181 110 A CA 1.746 53.827 52.037 0.075 0.000 0.620 110 A CB -0.784 18.233 19.000 0.028 0.000 0.819 110 A HN 0.416 nan 8.150 nan 0.000 0.442 111 E N -0.059 120.197 120.200 0.094 0.000 2.051 111 E HA -0.159 4.191 4.350 0.000 0.000 0.192 111 E C 1.963 178.674 176.600 0.184 0.000 0.991 111 E CA 1.139 57.612 56.400 0.121 0.000 0.799 111 E CB -0.209 29.547 29.700 0.094 0.000 0.748 111 E HN 0.609 nan 8.360 nan 0.000 0.449 112 L N 0.328 121.638 121.223 0.144 0.000 2.046 112 L HA -0.171 4.169 4.340 0.000 0.000 0.208 112 L C 2.781 179.747 176.870 0.160 0.000 1.077 112 L CA 1.257 56.187 54.840 0.149 0.000 0.747 112 L CB -0.490 41.640 42.059 0.119 0.000 0.896 112 L HN 0.147 nan 8.230 nan 0.000 0.432 113 R N 0.222 120.804 120.500 0.137 0.000 2.081 113 R HA -0.141 4.200 4.340 0.000 0.000 0.235 113 R C 2.394 178.729 176.300 0.058 0.000 1.131 113 R CA 1.312 57.471 56.100 0.098 0.000 0.960 113 R CB -0.583 29.771 30.300 0.089 0.000 0.856 113 R HN 0.333 nan 8.270 nan 0.000 0.436 114 A N 0.913 123.752 122.820 0.031 0.000 2.024 114 A HA -0.173 4.147 4.320 0.000 0.000 0.220 114 A C 1.331 178.815 177.584 -0.166 0.000 1.164 114 A CA 1.323 53.312 52.037 -0.079 0.000 0.643 114 A CB -0.446 18.478 19.000 -0.127 0.000 0.806 114 A HN 0.378 nan 8.150 nan 0.000 0.451 115 H N -1.509 117.574 119.070 0.022 0.000 2.594 115 H HA 0.199 4.755 4.556 0.000 0.000 0.279 115 H C -0.388 174.953 175.328 0.021 0.000 1.042 115 H CA 0.313 56.371 56.048 0.017 0.000 1.177 115 H CB 0.188 29.956 29.762 0.011 0.000 1.524 115 H HN 0.637 nan 8.280 nan 0.000 0.537 116 E N 1.154 121.420 120.200 0.110 0.000 2.252 116 E HA -0.220 4.130 4.350 0.000 0.000 0.218 116 E C 0.102 176.756 176.600 0.091 0.000 1.253 116 E CA 0.242 56.692 56.400 0.083 0.000 0.705 116 E CB -0.683 29.051 29.700 0.057 0.000 1.172 116 E HN 0.384 nan 8.360 nan 0.000 0.369 117 R N 0.742 121.307 120.500 0.107 0.000 2.670 117 R HA 0.427 4.767 4.340 0.000 0.000 0.289 117 R C -0.164 176.196 176.300 0.100 0.000 0.965 117 R CA -0.168 55.983 56.100 0.084 0.000 0.899 117 R CB 1.253 31.591 30.300 0.064 0.000 1.173 117 R HN 0.161 nan 8.270 nan 0.000 0.456 118 S N 2.504 118.258 115.700 0.091 0.000 2.632 118 S HA 0.181 4.652 4.470 0.000 0.000 0.267 118 S C 0.894 175.596 174.600 0.169 0.000 1.276 118 S CA -0.620 57.661 58.200 0.135 0.000 0.998 118 S CB 0.592 63.853 63.200 0.101 0.000 0.953 118 S HN 0.552 nan 8.310 nan 0.000 0.547 119 F N 1.367 121.298 119.950 -0.032 0.000 2.126 119 F HA -0.025 4.503 4.527 0.000 0.000 0.299 119 F C 2.764 178.532 175.800 -0.053 0.000 1.096 119 F CA 1.343 59.305 58.000 -0.064 0.000 1.255 119 F CB -1.206 37.716 39.000 -0.130 0.000 0.997 119 F HN 0.807 nan 8.300 nan 0.000 0.479 120 A N -0.298 122.610 122.820 0.147 0.000 1.908 120 A HA -0.137 4.184 4.320 0.000 0.000 0.218 120 A C 2.422 180.020 177.584 0.024 0.000 1.181 120 A CA 2.012 54.084 52.037 0.060 0.000 0.627 120 A CB -1.317 17.714 19.000 0.051 0.000 0.818 120 A HN 0.339 nan 8.150 nan 0.000 0.445 121 A N -0.577 122.259 122.820 0.026 0.000 1.897 121 A HA -0.052 4.268 4.320 0.000 0.000 0.215 121 A C 1.960 179.532 177.584 -0.020 0.000 1.181 121 A CA 1.951 53.993 52.037 0.008 0.000 0.620 121 A CB -0.460 18.549 19.000 0.015 0.000 0.821 121 A HN 0.527 nan 8.150 nan 0.000 0.443 122 E N 0.501 120.674 120.200 -0.046 0.000 2.038 122 E HA -0.167 4.183 4.350 0.000 0.000 0.195 122 E C 1.770 178.322 176.600 -0.080 0.000 1.000 122 E CA 1.632 57.976 56.400 -0.093 0.000 0.803 122 E CB -0.490 29.097 29.700 -0.189 0.000 0.750 122 E HN 0.569 nan 8.360 nan 0.000 0.448 123 L N -1.118 120.058 121.223 -0.078 0.000 2.265 123 L HA 0.052 4.392 4.340 0.000 0.000 0.215 123 L C 1.388 178.239 176.870 -0.032 0.000 1.117 123 L CA 0.702 55.511 54.840 -0.052 0.000 0.782 123 L CB -0.383 41.653 42.059 -0.038 0.000 0.914 123 L HN 0.481 nan 8.230 nan 0.000 0.441 124 G N 0.235 109.023 108.800 -0.020 0.000 2.288 124 G HA2 -0.231 3.729 3.960 0.000 0.000 0.205 124 G HA3 -0.231 3.729 3.960 0.000 0.000 0.205 124 G C 0.197 175.098 174.900 0.003 0.000 1.071 124 G CA 0.154 45.254 45.100 -0.001 0.000 0.788 124 G HN 0.247 nan 8.290 nan 0.000 0.491 125 S N -0.983 114.716 115.700 -0.003 0.000 2.558 125 S HA 0.351 4.821 4.470 0.000 0.000 0.288 125 S C 1.714 176.330 174.600 0.026 0.000 1.318 125 S CA 0.771 58.973 58.200 0.003 0.000 1.056 125 S CB 1.105 64.307 63.200 0.004 0.000 0.853 125 S HN 1.611 nan 8.310 nan 0.000 0.505 126 V N 2.496 122.434 119.914 0.041 0.000 3.604 126 V HA 0.487 4.607 4.120 0.000 0.000 0.277 126 V C 0.623 176.750 176.094 0.054 0.000 1.399 126 V CA -0.191 62.141 62.300 0.053 0.000 1.034 126 V CB -0.610 31.256 31.823 0.072 0.000 0.824 126 V HN 0.686 nan 8.190 nan 0.000 0.439 127 R N 0.328 120.859 120.500 0.052 0.000 2.854 127 R HA 0.544 4.884 4.340 0.000 0.000 0.271 127 R C -0.354 175.977 176.300 0.052 0.000 0.996 127 R CA -0.571 55.564 56.100 0.059 0.000 0.961 127 R CB 1.791 32.134 30.300 0.072 0.000 1.182 127 R HN 0.022 nan 8.270 nan 0.000 0.479 128 D N -0.390 120.047 120.400 0.062 0.000 2.388 128 D HA 0.035 4.675 4.640 0.000 0.000 0.208 128 D C 0.003 176.352 176.300 0.080 0.000 1.035 128 D CA 0.751 54.787 54.000 0.059 0.000 0.875 128 D CB 0.621 41.450 40.800 0.047 0.000 0.984 128 D HN 0.464 nan 8.370 nan 0.000 0.508 129 S N -0.356 115.413 115.700 0.116 0.000 2.588 129 S HA 0.696 5.167 4.470 0.000 0.000 0.275 129 S C -0.704 174.021 174.600 0.208 0.000 1.130 129 S CA -0.847 57.461 58.200 0.179 0.000 0.855 129 S CB 2.311 65.648 63.200 0.228 0.000 1.116 129 S HN -0.021 nan 8.310 nan 0.000 0.472 130 V N -2.014 117.982 119.914 0.138 0.000 2.789 130 V HA 0.843 4.963 4.120 0.000 0.000 0.311 130 V C -3.144 172.730 176.094 -0.366 0.000 1.073 130 V CA -2.789 59.489 62.300 -0.037 0.000 0.921 130 V CB 1.723 33.525 31.823 -0.034 0.000 1.009 130 V HN 0.806 nan 8.190 nan 0.000 0.426 131 P HA 0.343 nan 4.420 nan 0.000 0.276 131 P C -0.478 176.680 177.300 -0.236 0.000 1.243 131 P CA 0.003 62.703 63.100 -0.667 0.000 0.768 131 P CB 0.687 32.167 31.700 -0.367 0.000 0.856 132 C N 3.306 122.515 119.300 -0.151 0.000 2.391 132 C HA 0.854 5.314 4.460 0.000 0.000 0.339 132 C C 1.157 176.207 174.990 0.101 0.000 1.205 132 C CA -0.074 58.954 59.018 0.016 0.000 1.937 132 C CB 1.400 29.196 27.740 0.094 0.000 2.341 132 C HN 0.713 nan 8.230 nan 0.000 0.516 133 G N 0.037 108.873 108.800 0.059 0.000 3.013 133 G HA2 0.746 4.707 3.960 0.000 0.000 0.278 133 G HA3 0.746 4.707 3.960 0.000 0.000 0.278 133 G C -1.475 173.308 174.900 -0.195 0.000 1.353 133 G CA -0.405 44.678 45.100 -0.028 0.000 1.043 133 G HN 0.909 nan 8.290 nan 0.000 0.523 134 V N -0.985 118.703 119.914 -0.378 0.000 3.012 134 V HA 0.737 4.857 4.120 0.000 0.000 0.307 134 V C -0.800 175.040 176.094 -0.424 0.000 1.166 134 V CA -0.670 61.250 62.300 -0.634 0.000 0.974 134 V CB 2.153 33.171 31.823 -1.342 0.000 1.040 134 V HN 0.900 nan 8.190 nan 0.000 0.428 135 S N 4.221 119.722 115.700 -0.332 0.000 2.429 135 S HA 0.725 5.195 4.470 0.000 0.000 0.302 135 S C -0.819 173.767 174.600 -0.022 0.000 1.115 135 S CA -0.451 57.701 58.200 -0.081 0.000 1.095 135 S CB 0.930 64.195 63.200 0.108 0.000 0.987 135 S HN 0.784 nan 8.310 nan 0.000 0.474 136 V N 5.090 125.037 119.914 0.055 0.000 2.398 136 V HA 0.594 4.714 4.120 0.000 0.000 0.286 136 V C 1.258 177.476 176.094 0.206 0.000 1.026 136 V CA -0.654 61.737 62.300 0.153 0.000 0.868 136 V CB 1.161 33.056 31.823 0.120 0.000 0.982 136 V HN 0.939 nan 8.190 nan 0.000 0.443 137 G N 3.454 112.353 108.800 0.164 0.000 2.653 137 G HA2 0.466 4.427 3.960 0.000 0.000 0.265 137 G HA3 0.466 4.427 3.960 0.000 0.000 0.265 137 G C -0.185 174.640 174.900 -0.126 0.000 1.237 137 G CA -0.706 44.240 45.100 -0.257 0.000 0.946 137 G HN 0.634 nan 8.290 nan 0.000 0.522 138 I N 0.646 121.012 120.570 -0.340 0.000 2.588 138 I HA 0.073 4.243 4.170 0.000 0.000 0.283 138 I C 0.501 176.228 176.117 -0.650 0.000 1.119 138 I CA -0.171 60.761 61.300 -0.613 0.000 1.419 138 I CB 0.998 38.525 38.000 -0.789 0.000 1.394 138 I HN 0.166 nan 8.210 nan 0.000 0.562 139 M N 3.869 122.905 119.600 -0.940 0.000 2.513 139 M HA 0.203 4.683 4.480 0.000 0.000 0.291 139 M C 0.759 176.650 176.300 -0.682 0.000 1.190 139 M CA -0.248 54.746 55.300 -0.509 0.000 0.960 139 M CB 0.729 33.376 32.600 0.079 0.000 1.517 139 M HN 0.418 nan 8.290 nan 0.000 0.499 140 D N -0.551 119.683 120.400 -0.275 0.000 2.388 140 D HA 0.148 4.789 4.640 0.000 0.000 0.208 140 D C -0.434 175.850 176.300 -0.027 0.000 1.035 140 D CA 0.774 54.663 54.000 -0.185 0.000 0.875 140 D CB 0.786 41.520 40.800 -0.110 0.000 0.984 140 D HN 0.481 nan 8.370 nan 0.000 0.508 141 T N 0.192 114.789 114.554 0.071 0.000 2.900 141 T HA 0.237 4.588 4.350 0.000 0.000 0.295 141 T C 1.038 175.920 174.700 0.302 0.000 1.044 141 T CA -0.628 61.570 62.100 0.164 0.000 0.995 141 T CB 2.069 70.990 68.868 0.088 0.000 1.072 141 T HN -0.301 nan 8.240 nan 0.000 0.473 142 I N 3.325 124.040 120.570 0.243 0.000 2.202 142 I HA 0.017 4.187 4.170 0.000 0.000 0.242 142 I C -0.727 175.462 176.117 0.121 0.000 1.091 142 I CA 0.510 61.905 61.300 0.158 0.000 1.368 142 I CB -1.865 36.147 38.000 0.020 0.000 1.058 142 I HN 0.461 nan 8.210 nan 0.000 0.410 143 P HA -0.211 nan 4.420 nan 0.000 0.216 143 P C 1.668 179.019 177.300 0.085 0.000 1.153 143 P CA 1.448 64.586 63.100 0.063 0.000 0.848 143 P CB -0.277 31.447 31.700 0.039 0.000 0.787 144 Q N -0.240 119.618 119.800 0.096 0.000 2.226 144 Q HA -0.176 4.164 4.340 0.000 0.000 0.204 144 Q C 2.003 178.076 176.000 0.122 0.000 0.975 144 Q CA 1.192 57.048 55.803 0.087 0.000 0.866 144 Q CB -0.644 28.134 28.738 0.066 0.000 0.915 144 Q HN 0.189 nan 8.270 nan 0.000 0.440 145 L N 0.148 121.481 121.223 0.184 0.000 2.068 145 L HA -0.054 4.286 4.340 0.000 0.000 0.204 145 L C 2.174 179.165 176.870 0.201 0.000 1.076 145 L CA 1.190 56.167 54.840 0.228 0.000 0.753 145 L CB -0.274 41.991 42.059 0.343 0.000 0.910 145 L HN 0.250 nan 8.230 nan 0.000 0.439 146 L N -0.148 121.189 121.223 0.190 0.000 2.127 146 L HA -0.207 4.133 4.340 0.000 0.000 0.211 146 L C 2.189 179.259 176.870 0.332 0.000 1.089 146 L CA 1.091 56.105 54.840 0.291 0.000 0.757 146 L CB -0.999 41.132 42.059 0.121 0.000 0.899 146 L HN 0.358 nan 8.230 nan 0.000 0.434 147 D N -0.028 120.480 120.400 0.180 0.000 2.078 147 D HA -0.151 4.489 4.640 0.000 0.000 0.193 147 D C 2.362 178.709 176.300 0.078 0.000 0.990 147 D CA 1.175 55.250 54.000 0.126 0.000 0.827 147 D CB -0.374 40.465 40.800 0.065 0.000 0.975 147 D HN 0.050 nan 8.370 nan 0.000 0.451 148 V N 0.796 120.739 119.914 0.048 0.000 2.324 148 V HA -0.228 3.893 4.120 0.000 0.000 0.250 148 V C 2.650 178.725 176.094 -0.032 0.000 1.060 148 V CA 1.139 63.412 62.300 -0.044 0.000 1.042 148 V CB -0.457 31.396 31.823 0.051 0.000 0.650 148 V HN 0.046 nan 8.190 nan 0.000 0.450 149 V N 0.662 120.625 119.914 0.083 0.000 2.237 149 V HA -0.210 3.910 4.120 0.000 0.000 0.245 149 V C 2.676 178.623 176.094 -0.245 0.000 1.046 149 V CA 2.352 64.640 62.300 -0.021 0.000 1.007 149 V CB -1.449 30.325 31.823 -0.082 0.000 0.638 149 V HN 0.617 nan 8.190 nan 0.000 0.445 150 G N -0.304 108.388 108.800 -0.180 0.000 2.469 150 G HA2 -0.221 3.740 3.960 0.000 0.000 0.220 150 G HA3 -0.221 3.740 3.960 0.000 0.000 0.220 150 G C 1.585 176.458 174.900 -0.045 0.000 1.136 150 G CA 1.134 46.181 45.100 -0.089 0.000 0.759 150 G HN 0.621 nan 8.290 nan 0.000 0.562 151 G N -0.104 108.654 108.800 -0.070 0.000 2.433 151 G HA2 -0.198 3.762 3.960 0.000 0.000 0.216 151 G HA3 -0.198 3.762 3.960 0.000 0.000 0.216 151 G C 1.593 176.434 174.900 -0.098 0.000 1.186 151 G CA 0.912 45.929 45.100 -0.138 0.000 0.779 151 G HN 0.505 nan 8.290 nan 0.000 0.543 152 Y N 0.360 120.655 120.300 -0.008 0.000 2.145 152 Y HA -0.019 4.531 4.550 0.000 0.000 0.286 152 Y C 2.855 178.836 175.900 0.135 0.000 1.145 152 Y CA 0.519 58.666 58.100 0.078 0.000 1.148 152 Y CB -0.153 38.244 38.460 -0.104 0.000 0.981 152 Y HN 0.047 nan 8.280 nan 0.000 0.507 153 L N -0.321 120.970 121.223 0.114 0.000 2.131 153 L HA -0.255 4.085 4.340 0.000 0.000 0.210 153 L C 1.813 178.709 176.870 0.043 0.000 1.092 153 L CA 1.064 55.919 54.840 0.025 0.000 0.759 153 L CB -0.416 41.539 42.059 -0.173 0.000 0.903 153 L HN 0.322 nan 8.230 nan 0.000 0.435 154 D N 0.044 120.468 120.400 0.039 0.000 2.123 154 D HA -0.165 4.476 4.640 0.000 0.000 0.200 154 D C 1.962 178.278 176.300 0.027 0.000 0.976 154 D CA 0.986 55.005 54.000 0.031 0.000 0.831 154 D CB 0.053 40.868 40.800 0.025 0.000 0.974 154 D HN 0.369 nan 8.370 nan 0.000 0.469 155 E N -0.309 119.927 120.200 0.059 0.000 2.333 155 E HA -0.096 4.254 4.350 0.000 0.000 0.200 155 E C 1.199 177.730 176.600 -0.116 0.000 1.010 155 E CA 0.861 57.266 56.400 0.009 0.000 0.841 155 E CB 0.040 29.812 29.700 0.121 0.000 0.757 155 E HN 0.386 nan 8.360 nan 0.000 0.508 156 G N -0.423 108.328 108.800 -0.081 0.000 2.192 156 G HA2 -0.243 3.718 3.960 0.000 0.000 0.193 156 G HA3 -0.243 3.718 3.960 0.000 0.000 0.193 156 G C -0.209 174.601 174.900 -0.150 0.000 0.999 156 G CA -0.362 44.668 45.100 -0.117 0.000 0.659 156 G HN 0.195 nan 8.290 nan 0.000 0.503 157 Y N -0.032 120.276 120.300 0.013 0.000 2.702 157 Y HA 0.204 4.755 4.550 0.000 0.000 0.336 157 Y C 1.929 177.809 175.900 -0.034 0.000 1.235 157 Y CA 0.820 58.908 58.100 -0.019 0.000 1.492 157 Y CB 1.000 39.434 38.460 -0.044 0.000 1.308 157 Y HN -0.031 nan 8.280 nan 0.000 0.589 158 V N 2.086 122.080 119.914 0.133 0.000 3.471 158 V HA 0.085 4.205 4.120 0.000 0.000 0.258 158 V C 0.499 176.598 176.094 0.009 0.000 1.192 158 V CA 0.687 63.014 62.300 0.045 0.000 1.116 158 V CB -0.253 31.577 31.823 0.010 0.000 0.792 158 V HN 0.703 nan 8.190 nan 0.000 0.459 159 R N 0.280 120.779 120.500 -0.003 0.000 2.643 159 R HA 0.397 4.737 4.340 0.000 0.000 0.269 159 R C -2.338 173.896 176.300 -0.110 0.000 1.037 159 R CA -0.648 55.410 56.100 -0.071 0.000 0.894 159 R CB 2.175 32.403 30.300 -0.121 0.000 1.238 159 R HN 0.051 nan 8.270 nan 0.000 0.459 160 I N 3.268 123.767 120.570 -0.119 0.000 2.377 160 I HA 0.400 4.571 4.170 0.000 0.000 0.293 160 I C -0.117 175.924 176.117 -0.127 0.000 0.987 160 I CA -0.579 60.640 61.300 -0.135 0.000 1.185 160 I CB 1.446 39.382 38.000 -0.107 0.000 1.341 160 I HN 0.562 nan 8.210 nan 0.000 0.455 161 K N 7.524 127.848 120.400 -0.127 0.000 2.376 161 K HA 0.637 4.957 4.320 0.000 0.000 0.257 161 K C -1.751 174.848 176.600 -0.001 0.000 0.939 161 K CA -0.548 55.694 56.287 -0.076 0.000 0.809 161 K CB 1.442 33.888 32.500 -0.090 0.000 1.121 161 K HN 0.528 nan 8.250 nan 0.000 0.425 162 L N 4.117 125.357 121.223 0.029 0.000 2.282 162 L HA 0.418 4.758 4.340 0.000 0.000 0.288 162 L C -0.044 176.909 176.870 0.138 0.000 1.033 162 L CA -1.244 53.647 54.840 0.085 0.000 0.807 162 L CB 1.262 43.342 42.059 0.035 0.000 1.209 162 L HN 0.444 nan 8.230 nan 0.000 0.423 163 K N 4.412 124.922 120.400 0.185 0.000 2.298 163 K HA 0.523 4.843 4.320 0.000 0.000 0.280 163 K C -0.334 176.443 176.600 0.295 0.000 1.032 163 K CA -0.090 56.302 56.287 0.175 0.000 0.958 163 K CB 1.122 33.642 32.500 0.034 0.000 0.978 163 K HN 0.595 nan 8.250 nan 0.000 0.472 164 I N -2.219 118.519 120.570 0.280 0.000 3.002 164 I HA 0.580 4.750 4.170 0.000 0.000 0.310 164 I C -0.477 175.834 176.117 0.322 0.000 1.087 164 I CA -0.832 60.696 61.300 0.381 0.000 1.017 164 I CB 2.581 40.745 38.000 0.274 0.000 1.226 164 I HN 0.391 nan 8.210 nan 0.000 0.443 165 E N 2.139 122.533 120.200 0.323 0.000 2.392 165 E HA 0.428 4.779 4.350 0.000 0.000 0.279 165 E C -2.800 173.828 176.600 0.047 0.000 0.964 165 E CA -2.140 54.304 56.400 0.073 0.000 0.777 165 E CB 2.815 32.544 29.700 0.049 0.000 1.249 165 E HN 0.395 nan 8.360 nan 0.000 0.449 166 P HA 0.024 nan 4.420 nan 0.000 0.260 166 P C 0.426 177.750 177.300 0.040 0.000 1.185 166 P CA 1.187 64.217 63.100 -0.117 0.000 0.763 166 P CB 0.297 31.854 31.700 -0.238 0.000 0.776 167 G N 2.123 111.000 108.800 0.130 0.000 2.184 167 G HA2 -0.166 3.794 3.960 0.000 0.000 0.206 167 G HA3 -0.166 3.794 3.960 0.000 0.000 0.206 167 G C -0.408 174.654 174.900 0.270 0.000 0.995 167 G CA -0.365 44.821 45.100 0.144 0.000 0.651 167 G HN 0.594 nan 8.290 nan 0.000 0.511 168 W N 1.872 123.190 121.300 0.029 0.000 1.752 168 W HA 0.431 5.092 4.660 0.000 0.000 0.308 168 W C -0.282 176.270 176.519 0.054 0.000 0.978 168 W CA 0.391 57.749 57.345 0.021 0.000 1.401 168 W CB 0.274 29.731 29.460 -0.005 0.000 1.522 168 W HN 0.321 nan 8.180 nan 0.000 0.359 169 D N -0.510 119.882 120.400 -0.015 0.000 3.000 169 D HA 0.047 4.687 4.640 0.000 0.000 0.190 169 D C 1.649 177.832 176.300 -0.196 0.000 1.503 169 D CA 0.160 54.132 54.000 -0.048 0.000 1.496 169 D CB 0.337 41.203 40.800 0.109 0.000 1.163 169 D HN -0.158 nan 8.370 nan 0.000 0.231 170 V N 1.141 120.979 119.914 -0.127 0.000 2.295 170 V HA -0.182 3.938 4.120 0.000 0.000 0.246 170 V C 2.237 178.154 176.094 -0.296 0.000 1.049 170 V CA 1.944 64.138 62.300 -0.177 0.000 1.024 170 V CB -0.631 31.174 31.823 -0.030 0.000 0.648 170 V HN 0.187 nan 8.190 nan 0.000 0.447 171 E N -0.042 120.017 120.200 -0.235 0.000 2.012 171 E HA -0.168 4.182 4.350 0.000 0.000 0.197 171 E C 0.356 176.719 176.600 -0.395 0.000 1.007 171 E CA 1.867 58.114 56.400 -0.254 0.000 0.816 171 E CB -2.184 27.418 29.700 -0.163 0.000 0.762 171 E HN 0.455 nan 8.360 nan 0.000 0.451 172 P HA -0.175 nan 4.420 nan 0.000 0.217 172 P C 1.925 178.935 177.300 -0.484 0.000 1.162 172 P CA 1.283 63.936 63.100 -0.744 0.000 0.901 172 P CB -0.157 30.814 31.700 -1.215 0.000 0.793 173 V N -0.105 119.509 119.914 -0.500 0.000 2.295 173 V HA -0.250 3.870 4.120 0.000 0.000 0.246 173 V C 2.845 178.531 176.094 -0.679 0.000 1.049 173 V CA 2.234 64.221 62.300 -0.521 0.000 1.024 173 V CB -1.090 30.398 31.823 -0.557 0.000 0.648 173 V HN 0.084 nan 8.190 nan 0.000 0.447 174 R N 0.710 120.716 120.500 -0.823 0.000 2.080 174 R HA -0.195 4.145 4.340 0.000 0.000 0.236 174 R C 2.258 178.382 176.300 -0.294 0.000 1.137 174 R CA 2.086 57.762 56.100 -0.707 0.000 0.943 174 R CB -0.707 29.395 30.300 -0.329 0.000 0.846 174 R HN 0.418 nan 8.270 nan 0.000 0.431 175 A N 0.517 123.183 122.820 -0.256 0.000 1.859 175 A HA -0.173 4.147 4.320 0.000 0.000 0.217 175 A C 2.392 179.912 177.584 -0.107 0.000 1.198 175 A CA 2.082 54.023 52.037 -0.159 0.000 0.629 175 A CB -1.014 17.884 19.000 -0.171 0.000 0.830 175 A HN 0.253 nan 8.150 nan 0.000 0.446 176 V N -0.243 119.618 119.914 -0.088 0.000 2.332 176 V HA -0.253 3.867 4.120 0.000 0.000 0.248 176 V C 2.727 178.880 176.094 0.098 0.000 1.055 176 V CA 2.449 64.798 62.300 0.082 0.000 1.038 176 V CB -0.830 31.032 31.823 0.066 0.000 0.651 176 V HN 0.547 nan 8.190 nan 0.000 0.450 177 R N 0.163 120.666 120.500 0.004 0.000 2.092 177 R HA -0.113 4.227 4.340 0.000 0.000 0.231 177 R C 2.186 178.533 176.300 0.078 0.000 1.119 177 R CA 1.545 57.691 56.100 0.077 0.000 0.970 177 R CB -0.494 29.884 30.300 0.130 0.000 0.864 177 R HN 0.631 nan 8.270 nan 0.000 0.440 178 E N -0.821 119.397 120.200 0.030 0.000 2.051 178 E HA -0.219 4.131 4.350 0.000 0.000 0.192 178 E C 1.942 178.510 176.600 -0.053 0.000 0.991 178 E CA 1.335 57.739 56.400 0.008 0.000 0.799 178 E CB -0.059 29.632 29.700 -0.016 0.000 0.748 178 E HN 0.046 nan 8.360 nan 0.000 0.449 179 R N 0.301 120.717 120.500 -0.139 0.000 2.055 179 R HA -0.068 4.272 4.340 0.000 0.000 0.228 179 R C 1.788 177.879 176.300 -0.349 0.000 1.143 179 R CA 1.603 57.498 56.100 -0.341 0.000 0.945 179 R CB -0.663 29.261 30.300 -0.627 0.000 0.841 179 R HN 0.119 nan 8.270 nan 0.000 0.429 180 F N 0.030 119.983 119.950 0.004 0.000 2.615 180 F HA 0.335 4.862 4.527 0.000 0.000 0.297 180 F C 1.171 176.981 175.800 0.017 0.000 1.124 180 F CA 0.634 58.641 58.000 0.012 0.000 1.451 180 F CB 0.307 39.314 39.000 0.012 0.000 1.103 180 F HN 0.427 nan 8.300 nan 0.000 0.569 181 G N 0.425 109.317 108.800 0.152 0.000 2.612 181 G HA2 -0.189 3.771 3.960 0.000 0.000 0.686 181 G HA3 -0.189 3.771 3.960 0.000 0.000 0.686 181 G C -0.444 174.521 174.900 0.108 0.000 1.274 181 G CA -0.477 44.688 45.100 0.109 0.000 0.849 181 G HN 0.032 nan 8.290 nan 0.000 0.595 182 D N -0.336 120.113 120.400 0.081 0.000 2.347 182 D HA 0.060 4.700 4.640 0.000 0.000 0.213 182 D C 1.599 177.934 176.300 0.058 0.000 0.985 182 D CA 0.733 54.777 54.000 0.073 0.000 0.879 182 D CB 0.172 41.005 40.800 0.055 0.000 0.919 182 D HN 0.428 nan 8.370 nan 0.000 0.526 183 D N 0.192 120.625 120.400 0.056 0.000 2.347 183 D HA -0.009 4.632 4.640 0.000 0.000 0.213 183 D C 0.588 176.911 176.300 0.038 0.000 0.985 183 D CA 0.132 54.158 54.000 0.043 0.000 0.879 183 D CB 0.872 41.696 40.800 0.039 0.000 0.919 183 D HN 0.023 nan 8.370 nan 0.000 0.526 184 V N 1.748 121.690 119.914 0.047 0.000 2.715 184 V HA 0.008 4.128 4.120 0.000 0.000 0.299 184 V C 0.702 176.801 176.094 0.009 0.000 1.054 184 V CA -0.264 62.052 62.300 0.027 0.000 1.077 184 V CB 1.212 33.056 31.823 0.035 0.000 0.972 184 V HN 0.003 nan 8.190 nan 0.000 0.484 185 L N 5.798 127.013 121.223 -0.014 0.000 2.283 185 L HA 0.404 4.744 4.340 0.000 0.000 0.287 185 L C -0.392 176.447 176.870 -0.053 0.000 1.073 185 L CA -0.020 54.800 54.840 -0.034 0.000 0.822 185 L CB 0.569 42.597 42.059 -0.053 0.000 1.186 185 L HN 0.413 nan 8.230 nan 0.000 0.436 186 L N 4.778 125.977 121.223 -0.041 0.000 2.354 186 L HA 0.601 4.941 4.340 0.000 0.000 0.269 186 L C -0.568 176.269 176.870 -0.055 0.000 1.005 186 L CA 0.009 54.821 54.840 -0.047 0.000 0.819 186 L CB 2.003 44.052 42.059 -0.017 0.000 1.311 186 L HN 0.757 nan 8.230 nan 0.000 0.423 187 Q N 3.066 122.826 119.800 -0.066 0.000 2.630 187 Q HA 0.779 5.119 4.340 0.000 0.000 0.295 187 Q C -1.761 174.226 176.000 -0.022 0.000 0.944 187 Q CA -1.029 54.742 55.803 -0.052 0.000 0.766 187 Q CB 2.166 30.843 28.738 -0.101 0.000 1.471 187 Q HN 0.532 nan 8.270 nan 0.000 0.416 188 V N -2.255 117.668 119.914 0.015 0.000 3.102 188 V HA 0.816 4.936 4.120 0.000 0.000 0.312 188 V C -1.521 174.636 176.094 0.106 0.000 1.135 188 V CA -0.656 61.676 62.300 0.052 0.000 1.022 188 V CB 2.068 33.910 31.823 0.032 0.000 1.056 188 V HN 0.912 nan 8.190 nan 0.000 0.436 189 D N 0.985 121.474 120.400 0.150 0.000 2.736 189 D HA 0.722 5.362 4.640 0.000 0.000 0.243 189 D C 0.318 176.748 176.300 0.217 0.000 1.304 189 D CA 0.208 54.324 54.000 0.195 0.000 0.934 189 D CB 2.128 43.066 40.800 0.230 0.000 1.382 189 D HN 0.886 nan 8.370 nan 0.000 0.571 190 A N 3.519 126.483 122.820 0.240 0.000 2.132 190 A HA 0.121 4.441 4.320 0.000 0.000 0.213 190 A C 0.918 178.644 177.584 0.236 0.000 1.154 190 A CA 0.388 52.604 52.037 0.299 0.000 0.753 190 A CB -0.610 18.646 19.000 0.426 0.000 0.826 190 A HN 0.784 nan 8.150 nan 0.000 0.469 191 N N -0.434 118.399 118.700 0.222 0.000 2.727 191 N HA -0.203 4.537 4.740 0.000 0.000 0.249 191 N C 0.352 175.948 175.510 0.144 0.000 1.048 191 N CA 1.539 54.714 53.050 0.208 0.000 0.714 191 N CB -1.739 36.958 38.487 0.351 0.000 0.959 191 N HN 1.080 nan 8.380 nan 0.000 0.544 192 T N -6.131 108.509 114.554 0.144 0.000 4.458 192 T HA -0.318 4.033 4.350 0.000 0.000 0.317 192 T C 0.866 175.623 174.700 0.096 0.000 0.916 192 T CA 1.588 63.758 62.100 0.117 0.000 2.068 192 T CB -1.764 67.126 68.868 0.037 0.000 1.908 192 T HN 0.784 nan 8.240 nan 0.000 0.934 193 A N -0.751 122.133 122.820 0.108 0.000 2.119 193 A HA 0.492 4.812 4.320 0.000 0.000 0.216 193 A C 0.719 178.189 177.584 -0.190 0.000 1.152 193 A CA 0.629 52.626 52.037 -0.067 0.000 0.708 193 A CB -0.170 18.729 19.000 -0.168 0.000 0.805 193 A HN 0.823 nan 8.150 nan 0.000 0.460 194 Y N -0.318 120.001 120.300 0.031 0.000 2.565 194 Y HA 0.529 5.080 4.550 0.000 0.000 0.325 194 Y C 0.992 176.882 175.900 -0.017 0.000 1.221 194 Y CA -0.282 57.825 58.100 0.011 0.000 1.316 194 Y CB 0.809 39.278 38.460 0.015 0.000 1.404 194 Y HN 0.085 nan 8.280 nan 0.000 0.527 195 T N -2.067 112.585 114.554 0.164 0.000 2.916 195 T HA 0.301 4.651 4.350 0.000 0.000 0.292 195 T C 0.399 175.120 174.700 0.034 0.000 1.064 195 T CA -0.824 61.309 62.100 0.055 0.000 1.011 195 T CB 1.290 70.176 68.868 0.029 0.000 1.152 195 T HN 0.526 nan 8.240 nan 0.000 0.510 196 L N 2.205 123.418 121.223 -0.017 0.000 2.043 196 L HA 0.117 4.458 4.340 0.000 0.000 0.212 196 L C 2.538 179.407 176.870 -0.002 0.000 1.075 196 L CA 2.716 57.538 54.840 -0.029 0.000 0.752 196 L CB -1.332 40.703 42.059 -0.040 0.000 0.891 196 L HN 1.022 nan 8.230 nan 0.000 0.432 197 G N -1.502 107.305 108.800 0.010 0.000 2.564 197 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 197 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 197 G C 0.966 175.890 174.900 0.040 0.000 1.120 197 G CA 0.902 46.014 45.100 0.020 0.000 0.752 197 G HN 0.511 nan 8.290 nan 0.000 0.558 198 D N 0.050 120.490 120.400 0.066 0.000 2.363 198 D HA 0.286 4.926 4.640 0.000 0.000 0.214 198 D C 2.353 178.679 176.300 0.043 0.000 1.093 198 D CA 0.497 54.560 54.000 0.106 0.000 0.837 198 D CB 0.406 41.371 40.800 0.275 0.000 0.948 198 D HN 0.242 nan 8.370 nan 0.000 0.507 199 A N 2.582 125.407 122.820 0.008 0.000 1.881 199 A HA -0.202 4.118 4.320 0.000 0.000 0.219 199 A C -0.241 177.333 177.584 -0.018 0.000 1.215 199 A CA 1.671 53.696 52.037 -0.020 0.000 0.648 199 A CB -1.676 17.313 19.000 -0.018 0.000 0.832 199 A HN 0.179 nan 8.150 nan 0.000 0.455 200 P HA -0.229 nan 4.420 nan 0.000 0.216 200 P C 1.600 178.903 177.300 0.005 0.000 1.154 200 P CA 1.899 65.001 63.100 0.003 0.000 0.865 200 P CB -0.123 31.585 31.700 0.013 0.000 0.789 201 Q N 0.254 120.063 119.800 0.015 0.000 2.002 201 Q HA -0.143 4.197 4.340 0.000 0.000 0.204 201 Q C 2.085 178.069 176.000 -0.027 0.000 0.988 201 Q CA 1.791 57.609 55.803 0.025 0.000 0.843 201 Q CB -1.378 27.415 28.738 0.091 0.000 0.908 201 Q HN 0.186 nan 8.270 nan 0.000 0.420 202 L N -0.005 121.156 121.223 -0.103 0.000 2.201 202 L HA -0.046 4.294 4.340 0.000 0.000 0.212 202 L C 2.354 179.183 176.870 -0.069 0.000 1.105 202 L CA 0.784 55.526 54.840 -0.162 0.000 0.775 202 L CB -0.774 41.123 42.059 -0.271 0.000 0.913 202 L HN 0.299 nan 8.230 nan 0.000 0.440 203 A N 0.153 122.949 122.820 -0.039 0.000 2.067 203 A HA -0.177 4.143 4.320 0.000 0.000 0.219 203 A C 2.326 179.912 177.584 0.003 0.000 1.158 203 A CA 1.043 53.070 52.037 -0.017 0.000 0.661 203 A CB -0.452 18.539 19.000 -0.014 0.000 0.801 203 A HN 0.262 nan 8.150 nan 0.000 0.452 204 R N -0.679 119.829 120.500 0.014 0.000 2.293 204 R HA 0.009 4.349 4.340 0.000 0.000 0.219 204 R C 1.057 177.428 176.300 0.118 0.000 1.091 204 R CA 0.841 56.971 56.100 0.051 0.000 1.004 204 R CB -0.391 29.943 30.300 0.056 0.000 0.865 204 R HN 0.576 nan 8.270 nan 0.000 0.469 205 L N -0.570 120.714 121.223 0.102 0.000 2.607 205 L HA 0.098 4.438 4.340 0.000 0.000 0.228 205 L C 0.943 177.912 176.870 0.166 0.000 1.123 205 L CA -0.096 54.871 54.840 0.211 0.000 0.890 205 L CB 0.091 42.211 42.059 0.102 0.000 1.103 205 L HN -0.007 nan 8.230 nan 0.000 0.468 206 D N 1.309 121.740 120.400 0.052 0.000 2.133 206 D HA -0.159 4.481 4.640 0.000 0.000 0.195 206 D C -0.424 175.844 176.300 -0.054 0.000 0.997 206 D CA 1.478 55.479 54.000 0.001 0.000 0.840 206 D CB -1.303 39.483 40.800 -0.024 0.000 0.947 206 D HN 0.285 nan 8.370 nan 0.000 0.452 207 P HA -0.083 nan 4.420 nan 0.000 0.222 207 P C 1.165 178.195 177.300 -0.450 0.000 1.147 207 P CA 0.738 63.614 63.100 -0.374 0.000 0.790 207 P CB -0.285 31.033 31.700 -0.637 0.000 0.780 208 F N -0.538 119.399 119.950 -0.022 0.000 2.748 208 F HA 0.256 4.783 4.527 0.000 0.000 0.299 208 F C 1.827 177.616 175.800 -0.017 0.000 1.154 208 F CA 0.758 58.745 58.000 -0.021 0.000 1.446 208 F CB -0.952 38.031 39.000 -0.028 0.000 1.112 208 F HN -0.007 nan 8.300 nan 0.000 0.584 209 G N 1.444 110.295 108.800 0.085 0.000 2.198 209 G HA2 -0.311 3.649 3.960 0.000 0.000 0.260 209 G HA3 -0.311 3.649 3.960 0.000 0.000 0.260 209 G C 0.259 175.195 174.900 0.060 0.000 1.025 209 G CA -0.223 44.910 45.100 0.055 0.000 0.769 209 G HN 0.285 nan 8.290 nan 0.000 0.507 210 L N -0.533 120.733 121.223 0.073 0.000 2.506 210 L HA 0.146 4.486 4.340 0.000 0.000 0.281 210 L C 2.289 179.168 176.870 0.016 0.000 1.228 210 L CA -0.353 54.511 54.840 0.040 0.000 0.850 210 L CB 0.359 42.442 42.059 0.039 0.000 1.110 210 L HN 0.117 nan 8.230 nan 0.000 0.496 211 L N 3.043 124.261 121.223 -0.007 0.000 2.109 211 L HA -0.008 4.332 4.340 0.000 0.000 0.207 211 L C 0.191 177.060 176.870 -0.000 0.000 1.086 211 L CA 0.960 55.790 54.840 -0.017 0.000 0.760 211 L CB -0.216 41.807 42.059 -0.059 0.000 0.910 211 L HN 0.564 nan 8.230 nan 0.000 0.437 212 L N -3.547 117.678 121.223 0.003 0.000 2.940 212 L HA 0.549 4.889 4.340 0.000 0.000 0.270 212 L C -1.052 175.842 176.870 0.041 0.000 1.030 212 L CA -0.722 54.138 54.840 0.034 0.000 0.928 212 L CB 2.027 44.127 42.059 0.070 0.000 1.506 212 L HN -0.131 nan 8.230 nan 0.000 0.405 213 I N 0.548 121.154 120.570 0.060 0.000 2.410 213 I HA 0.517 4.687 4.170 0.000 0.000 0.286 213 I C -0.689 175.491 176.117 0.106 0.000 1.009 213 I CA -0.061 61.278 61.300 0.066 0.000 1.111 213 I CB 1.508 39.527 38.000 0.031 0.000 1.262 213 I HN 0.840 nan 8.210 nan 0.000 0.443 214 E N 5.254 125.538 120.200 0.139 0.000 2.249 214 E HA 0.129 4.480 4.350 0.000 0.000 0.280 214 E C -0.215 176.480 176.600 0.158 0.000 1.016 214 E CA -0.573 55.928 56.400 0.169 0.000 0.830 214 E CB 1.161 31.009 29.700 0.247 0.000 1.081 214 E HN 0.648 nan 8.360 nan 0.000 0.395 215 Q N 3.186 123.052 119.800 0.110 0.000 2.383 215 Q HA -0.187 4.153 4.340 0.000 0.000 0.370 215 Q C -1.996 174.163 176.000 0.265 0.000 1.315 215 Q CA 0.288 56.171 55.803 0.133 0.000 1.158 215 Q CB -0.220 28.558 28.738 0.067 0.000 1.352 215 Q HN 0.414 nan 8.270 nan 0.000 0.346 216 P HA -0.140 nan 4.420 nan 0.000 0.216 216 P C 0.105 177.564 177.300 0.265 0.000 1.153 216 P CA 1.348 64.614 63.100 0.276 0.000 0.848 216 P CB 0.125 31.903 31.700 0.130 0.000 0.787 217 L N -0.829 120.530 121.223 0.227 0.000 2.376 217 L HA 0.373 4.713 4.340 0.000 0.000 0.267 217 L C 1.105 178.077 176.870 0.170 0.000 1.035 217 L CA -1.484 53.369 54.840 0.022 0.000 0.800 217 L CB -0.039 41.812 42.059 -0.347 0.000 1.290 217 L HN -0.059 nan 8.230 nan 0.000 0.462 218 E N 0.220 120.464 120.200 0.073 0.000 2.438 218 E HA -0.112 4.238 4.350 0.000 0.000 0.261 218 E C 0.468 177.128 176.600 0.101 0.000 1.103 218 E CA -0.127 56.308 56.400 0.058 0.000 0.959 218 E CB 0.831 30.537 29.700 0.009 0.000 0.958 218 E HN 0.760 nan 8.360 nan 0.000 0.447 219 E N 1.769 121.978 120.200 0.016 0.000 2.097 219 E HA -0.260 4.090 4.350 0.000 0.000 0.196 219 E C 1.247 177.850 176.600 0.006 0.000 1.000 219 E CA 1.911 58.300 56.400 -0.019 0.000 0.804 219 E CB 0.052 29.700 29.700 -0.087 0.000 0.740 219 E HN 0.678 nan 8.360 nan 0.000 0.454 220 E N 0.055 120.259 120.200 0.006 0.000 2.502 220 E HA -0.075 4.275 4.350 0.000 0.000 0.194 220 E C 0.032 176.651 176.600 0.032 0.000 1.062 220 E CA 0.291 56.695 56.400 0.007 0.000 0.867 220 E CB 0.029 29.724 29.700 -0.009 0.000 0.888 220 E HN 0.129 nan 8.360 nan 0.000 0.510 221 D N 1.079 121.521 120.400 0.071 0.000 2.638 221 D HA 0.091 4.731 4.640 0.000 0.000 0.245 221 D C 0.896 177.306 176.300 0.183 0.000 1.176 221 D CA -0.227 53.816 54.000 0.071 0.000 0.996 221 D CB 0.604 41.404 40.800 -0.001 0.000 1.012 221 D HN -0.222 nan 8.370 nan 0.000 0.515 222 V N 2.199 122.194 119.914 0.135 0.000 2.270 222 V HA -0.231 3.889 4.120 0.000 0.000 0.245 222 V C 2.587 178.751 176.094 0.117 0.000 1.043 222 V CA 1.197 63.581 62.300 0.139 0.000 1.014 222 V CB -0.594 31.257 31.823 0.046 0.000 0.645 222 V HN 0.527 nan 8.190 nan 0.000 0.447 223 L N 0.616 121.872 121.223 0.054 0.000 2.043 223 L HA -0.179 4.161 4.340 0.000 0.000 0.212 223 L C 2.658 179.539 176.870 0.017 0.000 1.075 223 L CA 1.977 56.834 54.840 0.028 0.000 0.752 223 L CB -1.220 40.845 42.059 0.010 0.000 0.891 223 L HN 0.518 nan 8.230 nan 0.000 0.432 224 G N -1.537 107.256 108.800 -0.011 0.000 2.422 224 G HA2 -0.272 3.688 3.960 0.000 0.000 0.218 224 G HA3 -0.272 3.688 3.960 0.000 0.000 0.218 224 G C 1.165 176.004 174.900 -0.102 0.000 1.146 224 G CA 0.816 45.871 45.100 -0.076 0.000 0.769 224 G HN 0.422 nan 8.290 nan 0.000 0.547 225 H N 0.638 119.708 119.070 -0.001 0.000 2.321 225 H HA 0.091 4.647 4.556 0.000 0.000 0.300 225 H C 2.908 178.234 175.328 -0.003 0.000 1.087 225 H CA 1.477 57.524 56.048 -0.000 0.000 1.319 225 H CB -0.034 29.727 29.762 -0.002 0.000 1.379 225 H HN 0.396 nan 8.280 nan 0.000 0.501 226 A N 0.887 123.776 122.820 0.114 0.000 1.892 226 A HA -0.242 4.078 4.320 0.000 0.000 0.218 226 A C 2.258 179.861 177.584 0.033 0.000 1.188 226 A CA 1.868 53.940 52.037 0.059 0.000 0.631 226 A CB -0.318 18.704 19.000 0.038 0.000 0.822 226 A HN 0.338 nan 8.150 nan 0.000 0.447 227 E N -0.443 119.766 120.200 0.016 0.000 2.031 227 E HA -0.178 4.172 4.350 0.000 0.000 0.193 227 E C 2.032 178.630 176.600 -0.004 0.000 0.994 227 E CA 1.463 57.862 56.400 -0.001 0.000 0.800 227 E CB -0.513 29.178 29.700 -0.014 0.000 0.752 227 E HN 0.498 nan 8.360 nan 0.000 0.447 228 L N 0.875 122.090 121.223 -0.014 0.000 2.079 228 L HA -0.111 4.229 4.340 0.000 0.000 0.210 228 L C 2.191 179.065 176.870 0.007 0.000 1.081 228 L CA 2.307 57.136 54.840 -0.018 0.000 0.752 228 L CB -0.829 41.198 42.059 -0.054 0.000 0.896 228 L HN 0.065 nan 8.230 nan 0.000 0.433 229 A N -0.388 122.450 122.820 0.030 0.000 1.986 229 A HA -0.265 4.055 4.320 0.000 0.000 0.220 229 A C 2.446 180.039 177.584 0.015 0.000 1.171 229 A CA 1.981 54.037 52.037 0.031 0.000 0.640 229 A CB -0.597 18.428 19.000 0.041 0.000 0.811 229 A HN 0.548 nan 8.150 nan 0.000 0.451 230 R N -0.906 119.600 120.500 0.010 0.000 2.092 230 R HA -0.035 4.306 4.340 0.000 0.000 0.231 230 R C 2.192 178.491 176.300 -0.000 0.000 1.119 230 R CA 1.518 57.620 56.100 0.004 0.000 0.970 230 R CB -0.173 30.129 30.300 0.003 0.000 0.864 230 R HN 0.490 nan 8.270 nan 0.000 0.440 231 R N 0.259 120.757 120.500 -0.003 0.000 2.276 231 R HA 0.168 4.508 4.340 0.000 0.000 0.196 231 R C 0.827 177.121 176.300 -0.009 0.000 0.961 231 R CA 0.384 56.480 56.100 -0.007 0.000 1.024 231 R CB 0.151 30.444 30.300 -0.011 0.000 0.940 231 R HN 0.285 nan 8.270 nan 0.000 0.480 232 I N -2.889 117.677 120.570 -0.007 0.000 2.785 232 I HA 0.244 4.414 4.170 0.000 0.000 0.302 232 I C 0.154 176.270 176.117 -0.002 0.000 1.069 232 I CA -0.917 60.378 61.300 -0.009 0.000 1.045 232 I CB 2.403 40.394 38.000 -0.016 0.000 1.236 232 I HN -0.192 nan 8.210 nan 0.000 0.429 233 Q N 1.361 121.159 119.800 -0.003 0.000 2.354 233 Q HA 0.114 4.455 4.340 0.000 0.000 0.203 233 Q C 0.046 176.050 176.000 0.006 0.000 0.933 233 Q CA 0.599 56.402 55.803 -0.001 0.000 0.901 233 Q CB 0.324 29.058 28.738 -0.007 0.000 1.007 233 Q HN 0.749 nan 8.270 nan 0.000 0.495 234 T N 3.572 118.132 114.554 0.009 0.000 2.834 234 T HA 0.132 4.482 4.350 0.000 0.000 0.298 234 T C -2.442 172.271 174.700 0.022 0.000 0.966 234 T CA -1.098 61.011 62.100 0.016 0.000 1.141 234 T CB 0.687 69.566 68.868 0.018 0.000 0.905 234 T HN -0.029 nan 8.240 nan 0.000 0.535 235 P HA 0.123 nan 4.420 nan 0.000 0.267 235 P C -0.122 177.206 177.300 0.047 0.000 1.205 235 P CA -0.306 62.814 63.100 0.034 0.000 0.765 235 P CB 0.287 32.007 31.700 0.033 0.000 0.828 236 I N 3.240 123.840 120.570 0.050 0.000 2.441 236 I HA 0.107 4.277 4.170 0.000 0.000 0.287 236 I C 0.750 176.894 176.117 0.046 0.000 1.049 236 I CA -0.105 61.230 61.300 0.059 0.000 1.381 236 I CB 0.342 38.383 38.000 0.069 0.000 1.409 236 I HN 0.383 nan 8.210 nan 0.000 0.523 237 C N 8.067 127.401 119.300 0.056 0.000 2.408 237 C HA 0.659 5.119 4.460 0.000 0.000 0.321 237 C C -0.231 174.753 174.990 -0.010 0.000 1.245 237 C CA -0.571 58.490 59.018 0.072 0.000 1.523 237 C CB 0.446 28.309 27.740 0.206 0.000 2.178 237 C HN 0.708 nan 8.230 nan 0.000 0.488 238 L N 5.326 126.506 121.223 -0.072 0.000 2.325 238 L HA 0.512 4.853 4.340 0.000 0.000 0.278 238 L C 0.297 177.105 176.870 -0.103 0.000 1.023 238 L CA -0.100 54.651 54.840 -0.149 0.000 0.811 238 L CB 1.667 43.592 42.059 -0.223 0.000 1.249 238 L HN 0.775 nan 8.230 nan 0.000 0.431 239 D N 0.459 120.810 120.400 -0.081 0.000 3.028 239 D HA -0.016 4.624 4.640 0.000 0.000 0.205 239 D C 1.355 177.631 176.300 -0.040 0.000 1.489 239 D CA 0.244 54.219 54.000 -0.041 0.000 1.452 239 D CB 0.269 41.103 40.800 0.056 0.000 1.052 239 D HN 0.477 nan 8.370 nan 0.000 0.221 240 E N 0.625 120.778 120.200 -0.079 0.000 2.108 240 E HA -0.142 4.208 4.350 0.000 0.000 0.203 240 E C 2.151 178.685 176.600 -0.111 0.000 1.022 240 E CA 1.943 58.233 56.400 -0.182 0.000 0.823 240 E CB -0.389 29.114 29.700 -0.329 0.000 0.744 240 E HN 0.156 nan 8.360 nan 0.000 0.456 241 S N -0.033 115.601 115.700 -0.110 0.000 2.400 241 S HA -0.086 4.384 4.470 0.000 0.000 0.232 241 S C 0.827 175.379 174.600 -0.080 0.000 1.025 241 S CA 0.549 58.693 58.200 -0.093 0.000 0.993 241 S CB -0.103 63.027 63.200 -0.116 0.000 0.808 241 S HN 0.169 nan 8.310 nan 0.000 0.478 242 I N 3.410 123.930 120.570 -0.083 0.000 2.366 242 I HA 0.049 4.220 4.170 0.000 0.000 0.302 242 I C 1.158 177.244 176.117 -0.052 0.000 1.194 242 I CA -0.001 61.254 61.300 -0.076 0.000 1.667 242 I CB -0.869 37.074 38.000 -0.096 0.000 1.501 242 I HN 0.099 nan 8.210 nan 0.000 0.776 243 V N 2.134 122.022 119.914 -0.043 0.000 3.646 243 V HA 0.276 4.396 4.120 0.000 0.000 0.277 243 V C 0.655 176.732 176.094 -0.029 0.000 1.274 243 V CA 0.453 62.736 62.300 -0.029 0.000 1.164 243 V CB -1.034 30.773 31.823 -0.026 0.000 0.926 243 V HN 0.736 nan 8.190 nan 0.000 0.442 244 S N -2.250 113.429 115.700 -0.036 0.000 2.688 244 S HA 0.674 5.144 4.470 0.000 0.000 0.269 244 S C 0.521 175.100 174.600 -0.034 0.000 1.060 244 S CA 0.050 58.233 58.200 -0.028 0.000 0.844 244 S CB 0.834 64.022 63.200 -0.020 0.000 1.095 244 S HN 1.156 nan 8.310 nan 0.000 0.466 245 A N 1.724 124.531 122.820 -0.022 0.000 1.883 245 A HA -0.053 4.267 4.320 0.000 0.000 0.217 245 A C 2.134 179.699 177.584 -0.032 0.000 1.186 245 A CA 2.008 54.032 52.037 -0.021 0.000 0.624 245 A CB -1.069 17.931 19.000 -0.001 0.000 0.822 245 A HN 0.980 nan 8.150 nan 0.000 0.444 246 R N -0.259 120.226 120.500 -0.026 0.000 2.105 246 R HA -0.103 4.237 4.340 0.000 0.000 0.239 246 R C 2.190 178.463 176.300 -0.046 0.000 1.135 246 R CA 1.619 57.701 56.100 -0.030 0.000 0.967 246 R CB -0.463 29.825 30.300 -0.020 0.000 0.861 246 R HN 0.413 nan 8.270 nan 0.000 0.442 247 A N 0.887 123.679 122.820 -0.046 0.000 1.877 247 A HA -0.087 4.233 4.320 0.000 0.000 0.216 247 A C 2.442 179.981 177.584 -0.075 0.000 1.186 247 A CA 1.664 53.668 52.037 -0.055 0.000 0.620 247 A CB -0.962 18.007 19.000 -0.051 0.000 0.822 247 A HN 0.563 nan 8.150 nan 0.000 0.443 248 A N -0.063 122.708 122.820 -0.082 0.000 1.883 248 A HA 0.085 4.405 4.320 0.000 0.000 0.217 248 A C 2.537 180.031 177.584 -0.150 0.000 1.186 248 A CA 2.439 54.412 52.037 -0.108 0.000 0.624 248 A CB -1.150 17.791 19.000 -0.098 0.000 0.822 248 A HN 1.151 nan 8.150 nan 0.000 0.444 249 A N -0.271 122.460 122.820 -0.149 0.000 1.933 249 A HA -0.182 4.138 4.320 0.000 0.000 0.218 249 A C 1.776 179.253 177.584 -0.179 0.000 1.175 249 A CA 2.019 53.925 52.037 -0.219 0.000 0.628 249 A CB -0.593 18.331 19.000 -0.126 0.000 0.814 249 A HN 0.482 nan 8.150 nan 0.000 0.444 250 D N 0.035 120.369 120.400 -0.109 0.000 2.084 250 D HA -0.017 4.624 4.640 0.000 0.000 0.196 250 D C 2.317 178.567 176.300 -0.084 0.000 0.985 250 D CA 1.659 55.612 54.000 -0.080 0.000 0.826 250 D CB -0.577 40.191 40.800 -0.053 0.000 0.978 250 D HN 0.381 nan 8.370 nan 0.000 0.456 251 A N 0.771 123.539 122.820 -0.087 0.000 1.908 251 A HA -0.179 4.141 4.320 0.000 0.000 0.218 251 A C 2.384 179.915 177.584 -0.089 0.000 1.181 251 A CA 1.150 53.141 52.037 -0.077 0.000 0.627 251 A CB -0.822 18.125 19.000 -0.088 0.000 0.818 251 A HN 0.230 nan 8.150 nan 0.000 0.445 252 I N -0.632 119.853 120.570 -0.141 0.000 2.142 252 I HA -0.293 3.877 4.170 0.000 0.000 0.240 252 I C 2.487 178.533 176.117 -0.119 0.000 1.078 252 I CA 1.752 62.956 61.300 -0.161 0.000 1.343 252 I CB -0.427 37.391 38.000 -0.304 0.000 1.046 252 I HN 0.296 nan 8.210 nan 0.000 0.405 253 K N 0.797 121.117 120.400 -0.135 0.000 2.103 253 K HA -0.146 4.175 4.320 0.000 0.000 0.207 253 K C 1.873 178.453 176.600 -0.034 0.000 1.048 253 K CA 1.345 57.592 56.287 -0.068 0.000 0.930 253 K CB -0.220 32.245 32.500 -0.058 0.000 0.716 253 K HN 0.335 nan 8.250 nan 0.000 0.444 254 L N -0.089 121.112 121.223 -0.036 0.000 2.599 254 L HA 0.091 4.431 4.340 0.000 0.000 0.230 254 L C 0.945 177.811 176.870 -0.007 0.000 1.141 254 L CA 0.194 55.025 54.840 -0.016 0.000 0.877 254 L CB -0.095 41.957 42.059 -0.012 0.000 1.009 254 L HN 0.375 nan 8.230 nan 0.000 0.447 255 G N 0.310 109.102 108.800 -0.014 0.000 2.221 255 G HA2 -0.333 3.627 3.960 0.000 0.000 0.265 255 G HA3 -0.333 3.627 3.960 0.000 0.000 0.265 255 G C 0.825 175.729 174.900 0.008 0.000 1.041 255 G CA 0.400 45.498 45.100 -0.003 0.000 0.807 255 G HN 0.481 nan 8.290 nan 0.000 0.502 256 A N -1.513 121.308 122.820 0.002 0.000 2.218 256 A HA 0.670 4.990 4.320 0.000 0.000 0.209 256 A C 0.963 178.548 177.584 0.001 0.000 1.168 256 A CA 1.250 53.305 52.037 0.031 0.000 0.804 256 A CB 0.631 19.660 19.000 0.049 0.000 0.834 256 A HN 1.597 nan 8.150 nan 0.000 0.482 257 V N -1.098 118.801 119.914 -0.025 0.000 2.932 257 V HA 0.331 4.451 4.120 0.000 0.000 0.307 257 V C -0.274 175.809 176.094 -0.020 0.000 1.147 257 V CA -0.419 61.860 62.300 -0.035 0.000 0.951 257 V CB 2.059 33.838 31.823 -0.073 0.000 1.031 257 V HN 0.459 nan 8.190 nan 0.000 0.426 258 Q N 3.858 123.658 119.800 -0.000 0.000 2.353 258 Q HA 0.507 4.847 4.340 0.000 0.000 0.240 258 Q C -0.438 175.575 176.000 0.021 0.000 0.868 258 Q CA 0.455 56.265 55.803 0.011 0.000 0.944 258 Q CB 1.310 30.062 28.738 0.022 0.000 1.104 258 Q HN 0.690 nan 8.270 nan 0.000 0.531 259 I N 0.525 121.116 120.570 0.035 0.000 2.619 259 I HA 0.319 4.489 4.170 0.000 0.000 0.292 259 I C -1.093 175.048 176.117 0.041 0.000 1.100 259 I CA -0.970 60.373 61.300 0.072 0.000 1.043 259 I CB 2.641 40.738 38.000 0.162 0.000 1.239 259 I HN -0.289 nan 8.210 nan 0.000 0.420 260 V N 4.924 124.820 119.914 -0.030 0.000 2.459 260 V HA 0.357 4.477 4.120 0.000 0.000 0.295 260 V C -0.136 175.730 176.094 -0.379 0.000 1.029 260 V CA -0.717 61.493 62.300 -0.149 0.000 0.874 260 V CB 1.932 33.657 31.823 -0.162 0.000 0.985 260 V HN 0.720 nan 8.190 nan 0.000 0.438 261 N N 5.295 123.703 118.700 -0.487 0.000 2.455 261 N HA 0.388 5.128 4.740 0.000 0.000 0.280 261 N C -0.963 174.223 175.510 -0.540 0.000 1.055 261 N CA -0.226 52.248 53.050 -0.960 0.000 0.961 261 N CB 1.121 39.128 38.487 -0.800 0.000 1.121 261 N HN 0.610 nan 8.380 nan 0.000 0.476 262 I N 2.874 123.152 120.570 -0.486 0.000 2.362 262 I HA 0.259 4.430 4.170 0.000 0.000 0.289 262 I C 0.127 176.160 176.117 -0.139 0.000 0.994 262 I CA -0.625 60.557 61.300 -0.197 0.000 1.158 262 I CB 1.304 39.284 38.000 -0.034 0.000 1.315 262 I HN 0.259 nan 8.210 nan 0.000 0.451 263 K N 7.835 128.158 120.400 -0.128 0.000 2.521 263 K HA 0.316 4.636 4.320 0.000 0.000 0.248 263 K C -1.949 174.557 176.600 -0.157 0.000 0.978 263 K CA -1.588 54.626 56.287 -0.121 0.000 0.947 263 K CB 1.975 34.420 32.500 -0.092 0.000 1.165 263 K HN 0.193 nan 8.250 nan 0.000 0.445 264 P HA -0.257 nan 4.420 nan 0.000 0.217 264 P C 1.201 178.314 177.300 -0.311 0.000 1.158 264 P CA 1.557 64.377 63.100 -0.465 0.000 0.887 264 P CB 0.283 31.253 31.700 -1.216 0.000 0.792 265 G N -0.908 107.761 108.800 -0.219 0.000 2.430 265 G HA2 -0.191 3.770 3.960 0.000 0.000 0.216 265 G HA3 -0.191 3.770 3.960 0.000 0.000 0.216 265 G C 1.726 176.591 174.900 -0.059 0.000 1.146 265 G CA 0.325 45.361 45.100 -0.105 0.000 0.793 265 G HN 0.216 nan 8.290 nan 0.000 0.537 266 R N 0.665 121.129 120.500 -0.061 0.000 2.091 266 R HA -0.093 4.247 4.340 0.000 0.000 0.238 266 R C 2.429 178.722 176.300 -0.011 0.000 1.136 266 R CA 1.996 58.095 56.100 -0.002 0.000 0.959 266 R CB -0.307 30.015 30.300 0.037 0.000 0.856 266 R HN 0.388 nan 8.270 nan 0.000 0.437 267 V N -2.824 117.064 119.914 -0.044 0.000 3.623 267 V HA 0.350 4.470 4.120 0.000 0.000 0.271 267 V C 0.916 176.993 176.094 -0.028 0.000 1.248 267 V CA 0.598 62.876 62.300 -0.037 0.000 1.156 267 V CB 0.036 31.831 31.823 -0.048 0.000 0.870 267 V HN 0.474 nan 8.190 nan 0.000 0.453 268 G N -1.170 107.613 108.800 -0.028 0.000 2.142 268 G HA2 0.338 4.298 3.960 0.000 0.000 0.225 268 G HA3 0.338 4.298 3.960 0.000 0.000 0.225 268 G C 0.668 175.567 174.900 -0.002 0.000 1.015 268 G CA -0.125 44.973 45.100 -0.002 0.000 0.716 268 G HN 2.360 nan 8.290 nan 0.000 0.508 269 G N -2.681 106.090 108.800 -0.049 0.000 2.335 269 G HA2 0.331 4.291 3.960 0.000 0.000 0.592 269 G HA3 0.331 4.291 3.960 0.000 0.000 0.592 269 G C 0.049 174.900 174.900 -0.083 0.000 1.442 269 G CA 0.203 45.294 45.100 -0.015 0.000 0.976 269 G HN 0.618 nan 8.290 nan 0.000 0.652 270 Y N 0.324 120.663 120.300 0.064 0.000 2.314 270 Y HA 0.075 4.626 4.550 0.000 0.000 0.293 270 Y C 2.969 178.876 175.900 0.011 0.000 1.129 270 Y CA 1.649 59.783 58.100 0.058 0.000 1.201 270 Y CB -0.093 38.430 38.460 0.105 0.000 0.999 270 Y HN 0.445 nan 8.280 nan 0.000 0.541 271 L N -0.367 120.922 121.223 0.111 0.000 2.017 271 L HA -0.234 4.107 4.340 0.000 0.000 0.208 271 L C 2.466 179.362 176.870 0.043 0.000 1.073 271 L CA 1.889 56.759 54.840 0.051 0.000 0.745 271 L CB -0.481 41.595 42.059 0.028 0.000 0.894 271 L HN 0.178 nan 8.230 nan 0.000 0.432 272 E N 0.454 120.673 120.200 0.031 0.000 2.077 272 E HA -0.194 4.156 4.350 0.000 0.000 0.193 272 E C 2.092 178.709 176.600 0.027 0.000 0.989 272 E CA 1.402 57.815 56.400 0.021 0.000 0.800 272 E CB -0.089 29.614 29.700 0.006 0.000 0.746 272 E HN 0.364 nan 8.360 nan 0.000 0.452 273 A N 1.083 123.912 122.820 0.016 0.000 1.948 273 A HA -0.270 4.051 4.320 0.000 0.000 0.220 273 A C 2.281 179.934 177.584 0.115 0.000 1.177 273 A CA 1.939 53.997 52.037 0.036 0.000 0.636 273 A CB -0.706 18.285 19.000 -0.015 0.000 0.815 273 A HN 0.300 nan 8.150 nan 0.000 0.449 274 R N -0.474 120.092 120.500 0.111 0.000 2.081 274 R HA -0.131 4.209 4.340 0.000 0.000 0.235 274 R C 2.400 178.801 176.300 0.170 0.000 1.131 274 R CA 1.533 57.714 56.100 0.136 0.000 0.960 274 R CB -0.270 30.080 30.300 0.084 0.000 0.856 274 R HN 0.553 nan 8.270 nan 0.000 0.436 275 R N -0.087 120.476 120.500 0.104 0.000 2.091 275 R HA -0.106 4.234 4.340 0.000 0.000 0.238 275 R C 2.316 178.661 176.300 0.076 0.000 1.136 275 R CA 1.678 57.828 56.100 0.083 0.000 0.959 275 R CB -0.453 29.876 30.300 0.048 0.000 0.856 275 R HN 0.120 nan 8.270 nan 0.000 0.437 276 V N 0.989 120.942 119.914 0.065 0.000 2.332 276 V HA -0.317 3.803 4.120 0.000 0.000 0.248 276 V C 2.525 178.638 176.094 0.033 0.000 1.055 276 V CA 2.135 64.452 62.300 0.027 0.000 1.038 276 V CB -0.940 30.884 31.823 0.002 0.000 0.651 276 V HN 0.492 nan 8.190 nan 0.000 0.450 277 H N 0.452 119.510 119.070 -0.020 0.000 2.319 277 H HA -0.203 4.353 4.556 0.000 0.000 0.299 277 H C 2.037 177.351 175.328 -0.024 0.000 1.092 277 H CA 2.226 58.240 56.048 -0.057 0.000 1.302 277 H CB -0.122 29.680 29.762 0.067 0.000 1.373 277 H HN 0.422 nan 8.280 nan 0.000 0.497 278 D N 0.483 120.898 120.400 0.024 0.000 2.117 278 D HA -0.112 4.528 4.640 0.000 0.000 0.197 278 D C 2.604 178.873 176.300 -0.052 0.000 0.987 278 D CA 0.997 54.977 54.000 -0.033 0.000 0.829 278 D CB -0.382 40.474 40.800 0.093 0.000 0.961 278 D HN 0.239 nan 8.370 nan 0.000 0.460 279 V N 0.845 120.758 119.914 -0.001 0.000 2.255 279 V HA -0.302 3.818 4.120 0.000 0.000 0.247 279 V C 2.757 178.901 176.094 0.083 0.000 1.051 279 V CA 1.478 63.811 62.300 0.055 0.000 1.018 279 V CB -0.577 31.271 31.823 0.040 0.000 0.641 279 V HN 0.293 nan 8.190 nan 0.000 0.445 280 C N 0.071 119.354 119.300 -0.028 0.000 2.393 280 C HA -0.203 4.257 4.460 0.000 0.000 0.276 280 C C 3.104 178.062 174.990 -0.054 0.000 1.215 280 C CA 0.966 59.955 59.018 -0.049 0.000 1.743 280 C CB -1.494 26.162 27.740 -0.140 0.000 2.044 280 C HN 0.664 nan 8.230 nan 0.000 0.464 281 A N 0.550 123.262 122.820 -0.180 0.000 1.903 281 A HA -0.133 4.188 4.320 0.000 0.000 0.219 281 A C 2.329 179.857 177.584 -0.093 0.000 1.191 281 A CA 2.580 54.507 52.037 -0.184 0.000 0.638 281 A CB -1.040 17.770 19.000 -0.316 0.000 0.823 281 A HN 0.708 nan 8.150 nan 0.000 0.451 282 A N -2.238 120.537 122.820 -0.074 0.000 2.125 282 A HA -0.137 4.183 4.320 0.000 0.000 0.219 282 A C 1.786 179.220 177.584 -0.251 0.000 1.156 282 A CA 1.371 53.330 52.037 -0.129 0.000 0.671 282 A CB -0.667 18.254 19.000 -0.131 0.000 0.794 282 A HN 0.708 nan 8.150 nan 0.000 0.459 283 H N -1.595 117.440 119.070 -0.059 0.000 2.586 283 H HA 0.245 4.801 4.556 0.000 0.000 0.273 283 H C 1.528 176.830 175.328 -0.043 0.000 0.997 283 H CA 0.505 56.526 56.048 -0.045 0.000 1.177 283 H CB 0.284 30.018 29.762 -0.046 0.000 1.471 283 H HN 0.598 nan 8.280 nan 0.000 0.538 284 G N 1.752 110.566 108.800 0.023 0.000 2.160 284 G HA2 -0.242 3.718 3.960 0.000 0.000 0.251 284 G HA3 -0.242 3.718 3.960 0.000 0.000 0.251 284 G C 0.106 175.012 174.900 0.010 0.000 1.008 284 G CA -0.029 45.074 45.100 0.005 0.000 0.724 284 G HN 0.212 nan 8.290 nan 0.000 0.514 285 I N 1.615 122.190 120.570 0.008 0.000 2.297 285 I HA 0.286 4.457 4.170 0.000 0.000 0.291 285 I C -1.875 174.214 176.117 -0.047 0.000 1.033 285 I CA -2.885 58.407 61.300 -0.013 0.000 1.253 285 I CB 0.830 38.816 38.000 -0.022 0.000 1.396 285 I HN -0.120 nan 8.210 nan 0.000 0.476 286 P HA 0.187 nan 4.420 nan 0.000 0.271 286 P C -0.437 176.837 177.300 -0.043 0.000 1.218 286 P CA -0.057 63.032 63.100 -0.018 0.000 0.780 286 P CB 0.985 32.710 31.700 0.042 0.000 0.901 287 V N 0.092 119.930 119.914 -0.127 0.000 3.001 287 V HA 0.910 5.030 4.120 0.000 0.000 0.314 287 V C -1.436 174.567 176.094 -0.152 0.000 1.099 287 V CA -0.858 61.285 62.300 -0.261 0.000 0.989 287 V CB 2.556 34.058 31.823 -0.535 0.000 1.040 287 V HN 0.772 nan 8.190 nan 0.000 0.434 288 W N 0.828 122.031 121.300 -0.161 0.000 3.167 288 W HA 0.657 5.317 4.660 0.000 0.000 0.324 288 W C -1.234 175.460 176.519 0.291 0.000 1.230 288 W CA -1.371 56.055 57.345 0.135 0.000 1.184 288 W CB 1.029 30.562 29.460 0.121 0.000 1.414 288 W HN 0.902 nan 8.180 nan 0.000 0.551 289 C N 3.055 122.758 119.300 0.672 0.000 2.499 289 C HA 0.674 5.134 4.460 0.000 0.000 0.386 289 C C 1.157 176.261 174.990 0.190 0.000 1.293 289 C CA 0.831 60.071 59.018 0.370 0.000 1.884 289 C CB -0.737 27.142 27.740 0.233 0.000 2.509 289 C HN 0.806 nan 8.230 nan 0.000 0.566 290 G N 3.886 112.609 108.800 -0.127 0.000 2.522 290 G HA2 0.656 4.616 3.960 0.000 0.000 0.304 290 G HA3 0.656 4.616 3.960 0.000 0.000 0.304 290 G C -0.138 174.799 174.900 0.062 0.000 1.210 290 G CA 0.012 45.066 45.100 -0.077 0.000 0.960 290 G HN 1.202 nan 8.290 nan 0.000 0.497 291 G N -1.082 107.775 108.800 0.096 0.000 2.519 291 G HA2 0.485 4.445 3.960 0.000 0.000 0.307 291 G HA3 0.485 4.445 3.960 0.000 0.000 0.307 291 G C -0.180 174.701 174.900 -0.032 0.000 1.266 291 G CA -0.608 44.515 45.100 0.039 0.000 0.970 291 G HN 0.359 nan 8.290 nan 0.000 0.481 292 M N 1.965 121.512 119.600 -0.089 0.000 2.785 292 M HA 0.316 4.796 4.480 0.000 0.000 0.374 292 M C 0.664 176.825 176.300 -0.231 0.000 1.221 292 M CA -0.449 54.758 55.300 -0.155 0.000 0.912 292 M CB -0.687 31.817 32.600 -0.161 0.000 1.355 292 M HN 0.628 nan 8.290 nan 0.000 0.513 293 I N 0.823 121.167 120.570 -0.377 0.000 6.673 293 I HA -0.328 3.843 4.170 0.000 0.000 0.126 293 I C -0.207 175.743 176.117 -0.278 0.000 1.823 293 I CA 0.538 61.388 61.300 -0.750 0.000 2.064 293 I CB -1.417 36.023 38.000 -0.934 0.000 3.515 293 I HN 0.354 nan 8.210 nan 0.000 0.178 294 E N 0.975 121.128 120.200 -0.078 0.000 2.314 294 E HA 0.451 4.801 4.350 0.000 0.000 0.262 294 E C 0.904 177.629 176.600 0.209 0.000 1.093 294 E CA 0.044 56.478 56.400 0.056 0.000 0.908 294 E CB 0.767 30.484 29.700 0.029 0.000 1.091 294 E HN 0.405 nan 8.360 nan 0.000 0.425 295 T N -1.936 112.681 114.554 0.106 0.000 2.729 295 T HA 0.193 4.543 4.350 0.000 0.000 0.298 295 T C 1.356 176.109 174.700 0.088 0.000 1.013 295 T CA -0.211 61.917 62.100 0.047 0.000 0.957 295 T CB 0.738 69.538 68.868 -0.113 0.000 1.130 295 T HN 0.485 nan 8.240 nan 0.000 0.526 296 G N -0.424 108.431 108.800 0.091 0.000 2.509 296 G HA2 -0.002 3.958 3.960 0.000 0.000 0.218 296 G HA3 -0.002 3.958 3.960 0.000 0.000 0.218 296 G C 1.415 176.396 174.900 0.135 0.000 1.124 296 G CA 0.522 45.746 45.100 0.206 0.000 0.776 296 G HN 0.657 nan 8.290 nan 0.000 0.547 297 L N 0.533 121.757 121.223 0.001 0.000 1.948 297 L HA 0.016 4.356 4.340 0.000 0.000 0.212 297 L C 3.177 180.009 176.870 -0.063 0.000 1.074 297 L CA 1.438 56.245 54.840 -0.056 0.000 0.753 297 L CB -0.994 41.024 42.059 -0.068 0.000 0.888 297 L HN 0.283 nan 8.230 nan 0.000 0.432 298 G N -0.548 108.247 108.800 -0.008 0.000 2.402 298 G HA2 -0.279 3.681 3.960 0.000 0.000 0.216 298 G HA3 -0.279 3.681 3.960 0.000 0.000 0.216 298 G C 1.703 176.597 174.900 -0.009 0.000 1.162 298 G CA 0.790 45.915 45.100 0.041 0.000 0.777 298 G HN 0.227 nan 8.290 nan 0.000 0.539 299 R N 0.643 121.117 120.500 -0.044 0.000 2.113 299 R HA -0.124 4.216 4.340 0.000 0.000 0.244 299 R C 2.836 178.933 176.300 -0.338 0.000 1.142 299 R CA 1.982 57.969 56.100 -0.188 0.000 0.953 299 R CB -0.515 29.658 30.300 -0.211 0.000 0.860 299 R HN 0.284 nan 8.270 nan 0.000 0.438 300 A N 0.380 123.084 122.820 -0.192 0.000 1.865 300 A HA -0.167 4.153 4.320 0.000 0.000 0.217 300 A C 2.413 179.884 177.584 -0.188 0.000 1.191 300 A CA 2.011 54.002 52.037 -0.077 0.000 0.623 300 A CB -1.118 17.936 19.000 0.091 0.000 0.826 300 A HN 0.588 nan 8.150 nan 0.000 0.444 301 A N 0.030 122.665 122.820 -0.309 0.000 1.902 301 A HA -0.200 4.120 4.320 0.000 0.000 0.217 301 A C 1.901 179.429 177.584 -0.093 0.000 1.181 301 A CA 1.887 53.652 52.037 -0.454 0.000 0.623 301 A CB -0.677 17.727 19.000 -0.994 0.000 0.818 301 A HN 0.558 nan 8.150 nan 0.000 0.443 302 N N 0.166 118.890 118.700 0.041 0.000 2.120 302 N HA -0.116 4.625 4.740 0.000 0.000 0.188 302 N C 1.592 177.064 175.510 -0.063 0.000 1.024 302 N CA 1.491 54.597 53.050 0.092 0.000 0.852 302 N CB -0.663 37.852 38.487 0.048 0.000 1.003 302 N HN 0.243 nan 8.380 nan 0.000 0.424 303 V N 1.255 121.082 119.914 -0.144 0.000 2.490 303 V HA -0.175 3.945 4.120 0.000 0.000 0.250 303 V C 2.271 178.302 176.094 -0.104 0.000 1.061 303 V CA 1.706 63.915 62.300 -0.152 0.000 1.064 303 V CB -0.833 30.867 31.823 -0.204 0.000 0.670 303 V HN 0.316 nan 8.190 nan 0.000 0.461 304 A N -0.285 122.495 122.820 -0.067 0.000 1.872 304 A HA -0.150 4.170 4.320 0.000 0.000 0.214 304 A C 2.129 179.656 177.584 -0.095 0.000 1.187 304 A CA 1.831 53.850 52.037 -0.030 0.000 0.614 304 A CB -0.569 18.461 19.000 0.049 0.000 0.826 304 A HN 0.435 nan 8.150 nan 0.000 0.442 305 L N 0.173 121.339 121.223 -0.095 0.000 1.989 305 L HA -0.124 4.216 4.340 0.000 0.000 0.211 305 L C 2.527 178.952 176.870 -0.741 0.000 1.071 305 L CA 2.407 57.114 54.840 -0.222 0.000 0.749 305 L CB -0.731 41.320 42.059 -0.015 0.000 0.890 305 L HN 0.332 nan 8.230 nan 0.000 0.431 306 A N -1.351 121.039 122.820 -0.717 0.000 2.259 306 A HA -0.112 4.208 4.320 0.000 0.000 0.212 306 A C 2.090 179.364 177.584 -0.517 0.000 1.178 306 A CA 1.326 52.812 52.037 -0.918 0.000 0.734 306 A CB -0.966 17.832 19.000 -0.337 0.000 0.774 306 A HN 0.676 nan 8.150 nan 0.000 0.481 307 S N -1.414 114.087 115.700 -0.332 0.000 2.572 307 S HA 0.411 4.881 4.470 0.000 0.000 0.228 307 S C 0.191 174.761 174.600 -0.049 0.000 0.963 307 S CA -0.527 57.608 58.200 -0.108 0.000 0.939 307 S CB -0.375 62.798 63.200 -0.045 0.000 0.804 307 S HN 0.128 nan 8.310 nan 0.000 0.480 308 L N 2.416 123.565 121.223 -0.123 0.000 2.472 308 L HA 0.376 4.716 4.340 0.000 0.000 0.260 308 L C -1.292 175.768 176.870 0.316 0.000 1.209 308 L CA -1.735 53.127 54.840 0.036 0.000 0.817 308 L CB 0.060 41.995 42.059 -0.206 0.000 1.106 308 L HN -0.016 nan 8.230 nan 0.000 0.479 309 P HA -0.136 nan 4.420 nan 0.000 0.216 309 P C 0.849 178.374 177.300 0.375 0.000 1.150 309 P CA 1.236 64.532 63.100 0.328 0.000 0.837 309 P CB 0.221 32.078 31.700 0.263 0.000 0.786 310 N N -1.692 117.370 118.700 0.603 0.000 2.398 310 N HA 0.018 4.758 4.740 0.000 0.000 0.188 310 N C -0.378 175.200 175.510 0.112 0.000 1.122 310 N CA -0.092 53.064 53.050 0.176 0.000 0.866 310 N CB -0.636 37.667 38.487 -0.307 0.000 0.970 310 N HN -0.065 nan 8.380 nan 0.000 0.462 311 F N 0.539 120.640 119.950 0.252 0.000 2.567 311 F HA 0.155 4.682 4.527 0.000 0.000 0.352 311 F C 1.320 177.216 175.800 0.160 0.000 1.229 311 F CA -0.133 57.990 58.000 0.205 0.000 1.228 311 F CB 0.110 39.209 39.000 0.165 0.000 1.568 311 F HN 0.002 nan 8.300 nan 0.000 0.634 312 T N -0.198 114.487 114.554 0.219 0.000 3.186 312 T HA 0.415 4.765 4.350 0.000 0.000 0.257 312 T C 0.133 174.912 174.700 0.133 0.000 1.029 312 T CA -0.030 62.166 62.100 0.160 0.000 0.916 312 T CB -0.284 68.648 68.868 0.107 0.000 1.041 312 T HN 0.230 nan 8.240 nan 0.000 0.562 313 L N 1.498 122.830 121.223 0.182 0.000 2.408 313 L HA 0.527 4.867 4.340 0.000 0.000 0.268 313 L C -2.629 174.319 176.870 0.129 0.000 0.986 313 L CA -2.837 52.062 54.840 0.099 0.000 0.820 313 L CB 2.514 44.613 42.059 0.068 0.000 1.303 313 L HN -0.120 nan 8.230 nan 0.000 0.411 314 P HA 0.068 nan 4.420 nan 0.000 0.265 314 P C -0.205 177.116 177.300 0.036 0.000 1.187 314 P CA 0.029 63.131 63.100 0.003 0.000 0.766 314 P CB 0.637 32.294 31.700 -0.071 0.000 0.820 315 G N 0.875 109.774 108.800 0.165 0.000 2.601 315 G HA2 0.294 4.254 3.960 0.000 0.000 0.317 315 G HA3 0.294 4.254 3.960 0.000 0.000 0.317 315 G C -0.763 174.255 174.900 0.197 0.000 1.246 315 G CA -0.522 44.797 45.100 0.366 0.000 1.012 315 G HN 0.290 nan 8.290 nan 0.000 0.494 316 D N 1.076 121.678 120.400 0.338 0.000 2.845 316 D HA 0.217 4.857 4.640 0.000 0.000 0.235 316 D C 0.691 177.064 176.300 0.121 0.000 1.158 316 D CA 0.154 54.266 54.000 0.186 0.000 0.990 316 D CB 0.039 41.011 40.800 0.288 0.000 1.094 316 D HN 0.334 nan 8.370 nan 0.000 0.486 317 T N -2.189 112.409 114.554 0.074 0.000 3.438 317 T HA 0.290 4.640 4.350 0.000 0.000 0.244 317 T C 0.577 175.293 174.700 0.025 0.000 1.269 317 T CA -0.730 61.381 62.100 0.019 0.000 1.371 317 T CB 0.036 68.897 68.868 -0.011 0.000 1.002 317 T HN -0.154 nan 8.240 nan 0.000 0.637 318 S N 1.770 117.489 115.700 0.031 0.000 2.596 318 S HA 0.610 5.081 4.470 0.000 0.000 0.260 318 S C 1.083 175.760 174.600 0.128 0.000 1.336 318 S CA -0.684 57.570 58.200 0.090 0.000 0.993 318 S CB 0.362 63.453 63.200 -0.182 0.000 0.923 318 S HN 0.933 nan 8.310 nan 0.000 0.567 319 A N 1.130 124.092 122.820 0.237 0.000 2.386 319 A HA 0.312 4.632 4.320 0.000 0.000 0.246 319 A C 1.518 179.208 177.584 0.178 0.000 1.089 319 A CA -0.311 51.848 52.037 0.203 0.000 0.790 319 A CB -0.269 18.842 19.000 0.185 0.000 1.042 319 A HN 0.727 nan 8.150 nan 0.000 0.497 320 S N 0.345 116.186 115.700 0.236 0.000 2.370 320 S HA -0.189 4.281 4.470 0.000 0.000 0.226 320 S C 1.502 176.215 174.600 0.188 0.000 1.033 320 S CA 1.903 60.254 58.200 0.252 0.000 1.011 320 S CB -0.495 62.874 63.200 0.282 0.000 0.852 320 S HN 0.928 nan 8.310 nan 0.000 0.457 321 D N 1.100 121.582 120.400 0.137 0.000 2.264 321 D HA -0.116 4.524 4.640 0.000 0.000 0.208 321 D C 1.671 177.977 176.300 0.009 0.000 0.966 321 D CA 0.394 54.450 54.000 0.093 0.000 0.864 321 D CB -0.474 40.378 40.800 0.087 0.000 0.933 321 D HN 0.149 nan 8.370 nan 0.000 0.499 322 R N -0.337 120.128 120.500 -0.058 0.000 2.154 322 R HA -0.146 4.194 4.340 0.000 0.000 0.248 322 R C 0.906 176.867 176.300 -0.565 0.000 1.155 322 R CA 1.189 57.114 56.100 -0.292 0.000 0.979 322 R CB -0.276 29.734 30.300 -0.485 0.000 0.869 322 R HN 0.375 nan 8.270 nan 0.000 0.452 323 F N -2.998 116.819 119.950 -0.222 0.000 2.640 323 F HA 0.214 4.742 4.527 0.000 0.000 0.285 323 F C 0.117 175.633 175.800 -0.474 0.000 1.031 323 F CA -0.454 57.257 58.000 -0.481 0.000 1.240 323 F CB 0.467 38.910 39.000 -0.928 0.000 1.011 323 F HN -0.196 nan 8.300 nan 0.000 0.656 324 Y N 0.572 120.992 120.300 0.201 0.000 2.376 324 Y HA 0.318 4.868 4.550 0.000 0.000 0.340 324 Y C 0.985 176.936 175.900 0.084 0.000 0.965 324 Y CA -1.077 57.097 58.100 0.125 0.000 1.078 324 Y CB 1.810 40.334 38.460 0.106 0.000 1.193 324 Y HN -0.254 nan 8.280 nan 0.000 0.452 325 K N 0.822 121.353 120.400 0.218 0.000 2.116 325 K HA 0.032 4.352 4.320 0.000 0.000 0.203 325 K C -0.195 176.473 176.600 0.113 0.000 1.052 325 K CA 1.067 57.431 56.287 0.128 0.000 0.952 325 K CB 0.227 32.783 32.500 0.093 0.000 0.729 325 K HN 0.602 nan 8.250 nan 0.000 0.446 326 T N 1.621 116.248 114.554 0.121 0.000 2.912 326 T HA 0.107 4.457 4.350 0.000 0.000 0.326 326 T C -1.323 173.394 174.700 0.027 0.000 1.080 326 T CA -0.681 61.455 62.100 0.059 0.000 1.000 326 T CB 1.232 70.113 68.868 0.022 0.000 1.008 326 T HN 0.050 nan 8.240 nan 0.000 0.473 327 D N 2.251 122.676 120.400 0.041 0.000 2.302 327 D HA 0.162 4.802 4.640 0.000 0.000 0.248 327 D C 1.616 177.868 176.300 -0.079 0.000 1.094 327 D CA -0.881 53.115 54.000 -0.007 0.000 0.897 327 D CB 1.032 41.890 40.800 0.097 0.000 1.200 327 D HN 0.587 nan 8.370 nan 0.000 0.429 328 I N 0.539 121.020 120.570 -0.148 0.000 3.164 328 I HA -0.009 4.162 4.170 0.000 0.000 0.278 328 I C 0.800 176.822 176.117 -0.159 0.000 1.320 328 I CA 0.285 61.486 61.300 -0.165 0.000 1.422 328 I CB -0.595 37.273 38.000 -0.220 0.000 1.066 328 I HN 0.217 nan 8.210 nan 0.000 0.503 329 T N -2.653 111.831 114.554 -0.117 0.000 2.716 329 T HA 0.420 4.770 4.350 0.000 0.000 0.286 329 T C -0.332 174.302 174.700 -0.110 0.000 1.052 329 T CA -0.803 61.222 62.100 -0.124 0.000 1.024 329 T CB 1.513 70.311 68.868 -0.115 0.000 1.349 329 T HN -0.025 nan 8.240 nan 0.000 0.525 330 E N 3.005 123.116 120.200 -0.149 0.000 2.498 330 E HA 0.295 4.645 4.350 0.000 0.000 0.252 330 E C -2.159 174.293 176.600 -0.248 0.000 1.025 330 E CA -1.655 54.637 56.400 -0.180 0.000 0.938 330 E CB 0.180 29.753 29.700 -0.211 0.000 0.947 330 E HN 0.396 nan 8.360 nan 0.000 0.478 331 P HA 0.006 nan 4.420 nan 0.000 0.269 331 P C -0.580 176.605 177.300 -0.193 0.000 1.215 331 P CA 0.160 63.214 63.100 -0.077 0.000 0.780 331 P CB 0.327 32.031 31.700 0.006 0.000 0.898 332 F N 0.888 120.857 119.950 0.032 0.000 2.411 332 F HA 0.280 4.807 4.527 0.000 0.000 0.355 332 F C 0.402 176.223 175.800 0.035 0.000 1.117 332 F CA -0.278 57.740 58.000 0.032 0.000 1.139 332 F CB 1.080 40.106 39.000 0.043 0.000 1.120 332 F HN -0.062 nan 8.300 nan 0.000 0.493 333 V N 5.872 125.887 119.914 0.170 0.000 2.407 333 V HA 0.224 4.344 4.120 0.000 0.000 0.291 333 V C -0.206 175.936 176.094 0.081 0.000 1.018 333 V CA -0.921 61.435 62.300 0.095 0.000 0.842 333 V CB 1.486 33.329 31.823 0.033 0.000 0.996 333 V HN 0.510 nan 8.190 nan 0.000 0.426 334 L N 4.457 125.705 121.223 0.041 0.000 2.514 334 L HA 0.321 4.661 4.340 0.000 0.000 0.280 334 L C 0.484 177.342 176.870 -0.020 0.000 1.223 334 L CA 1.319 56.145 54.840 -0.023 0.000 0.864 334 L CB 1.132 43.071 42.059 -0.199 0.000 1.118 334 L HN 0.756 nan 8.230 nan 0.000 0.494 335 S N 3.192 118.895 115.700 0.004 0.000 2.750 335 S HA 0.555 5.025 4.470 0.000 0.000 0.276 335 S C 0.198 174.808 174.600 0.016 0.000 1.165 335 S CA -0.134 58.068 58.200 0.002 0.000 1.047 335 S CB 0.570 63.775 63.200 0.009 0.000 1.056 335 S HN 1.392 nan 8.310 nan 0.000 0.481 336 G N 2.960 111.753 108.800 -0.011 0.000 2.273 336 G HA2 -0.024 3.936 3.960 0.000 0.000 0.280 336 G HA3 -0.024 3.936 3.960 0.000 0.000 0.280 336 G C 1.252 176.232 174.900 0.133 0.000 1.047 336 G CA 0.726 45.826 45.100 0.001 0.000 0.869 336 G HN 2.240 nan 8.290 nan 0.000 0.502 337 G N -1.989 106.847 108.800 0.060 0.000 2.168 337 G HA2 -0.156 3.804 3.960 0.000 0.000 0.257 337 G HA3 -0.156 3.804 3.960 0.000 0.000 0.257 337 G C 0.130 175.093 174.900 0.105 0.000 0.997 337 G CA 1.312 46.428 45.100 0.027 0.000 0.708 337 G HN 1.528 nan 8.290 nan 0.000 0.520 338 H N -1.498 117.543 119.070 -0.048 0.000 2.865 338 H HA 0.771 5.327 4.556 0.000 0.000 0.372 338 H C 0.043 175.380 175.328 0.015 0.000 1.173 338 H CA -0.756 55.289 56.048 -0.004 0.000 1.147 338 H CB 1.474 31.241 29.762 0.009 0.000 1.805 338 H HN 0.164 nan 8.280 nan 0.000 0.553 339 L N 3.110 124.426 121.223 0.155 0.000 2.346 339 L HA 0.478 4.818 4.340 0.000 0.000 0.276 339 L C -2.430 174.542 176.870 0.170 0.000 1.006 339 L CA -2.054 52.882 54.840 0.159 0.000 0.817 339 L CB 2.222 44.349 42.059 0.115 0.000 1.272 339 L HN 0.374 nan 8.230 nan 0.000 0.421 340 P HA 0.152 nan 4.420 nan 0.000 0.285 340 P C -0.572 176.831 177.300 0.170 0.000 1.259 340 P CA -0.350 62.841 63.100 0.152 0.000 0.794 340 P CB 1.264 33.031 31.700 0.111 0.000 0.940 341 V N 6.210 126.192 119.914 0.114 0.000 2.508 341 V HA 0.131 4.251 4.120 0.000 0.000 0.281 341 V C -1.735 174.419 176.094 0.100 0.000 1.041 341 V CA -1.275 61.084 62.300 0.099 0.000 1.016 341 V CB 0.038 31.897 31.823 0.059 0.000 0.984 341 V HN 0.558 nan 8.190 nan 0.000 0.478 342 P HA 0.096 nan 4.420 nan 0.000 0.266 342 P C 0.743 178.077 177.300 0.057 0.000 1.195 342 P CA 0.138 63.289 63.100 0.086 0.000 0.768 342 P CB 0.432 32.189 31.700 0.095 0.000 0.838 343 T N -1.224 113.353 114.554 0.038 0.000 3.022 343 T HA 0.230 4.580 4.350 0.000 0.000 0.250 343 T C 1.123 175.843 174.700 0.034 0.000 1.060 343 T CA 0.118 62.238 62.100 0.034 0.000 1.013 343 T CB -0.259 68.623 68.868 0.023 0.000 0.982 343 T HN 0.442 nan 8.240 nan 0.000 0.508 344 G N 2.546 111.364 108.800 0.029 0.000 2.570 344 G HA2 0.496 4.457 3.960 0.000 0.000 0.276 344 G HA3 0.496 4.457 3.960 0.000 0.000 0.276 344 G C -2.782 172.152 174.900 0.056 0.000 1.346 344 G CA -1.223 43.897 45.100 0.032 0.000 1.034 344 G HN 0.163 nan 8.290 nan 0.000 0.512 345 P HA 0.349 nan 4.420 nan 0.000 0.281 345 P C 0.888 178.259 177.300 0.118 0.000 1.249 345 P CA 0.885 64.039 63.100 0.091 0.000 0.810 345 P CB 1.166 32.913 31.700 0.079 0.000 1.008 346 G N 1.521 110.438 108.800 0.196 0.000 2.596 346 G HA2 -0.340 3.621 3.960 0.000 0.000 0.295 346 G HA3 -0.340 3.621 3.960 0.000 0.000 0.295 346 G C 0.979 175.978 174.900 0.164 0.000 1.240 346 G CA 0.396 45.679 45.100 0.304 0.000 0.985 346 G HN 0.456 nan 8.290 nan 0.000 0.555 347 L N 1.573 122.712 121.223 -0.140 0.000 2.127 347 L HA 0.180 4.520 4.340 0.000 0.000 0.211 347 L C 2.721 179.525 176.870 -0.110 0.000 1.089 347 L CA 1.651 56.283 54.840 -0.346 0.000 0.757 347 L CB -0.812 41.041 42.059 -0.343 0.000 0.899 347 L HN 2.143 nan 8.230 nan 0.000 0.434 348 G N 0.129 108.913 108.800 -0.027 0.000 2.143 348 G HA2 -0.232 3.728 3.960 0.000 0.000 0.249 348 G HA3 -0.232 3.728 3.960 0.000 0.000 0.249 348 G C 0.141 175.023 174.900 -0.029 0.000 0.981 348 G CA 0.257 45.354 45.100 -0.004 0.000 0.665 348 G HN 0.489 nan 8.290 nan 0.000 0.528 349 V N -4.293 115.593 119.914 -0.046 0.000 3.178 349 V HA 1.039 5.160 4.120 0.000 0.000 0.302 349 V C -0.343 175.705 176.094 -0.077 0.000 1.262 349 V CA -0.292 61.965 62.300 -0.072 0.000 1.030 349 V CB 1.681 33.459 31.823 -0.074 0.000 1.074 349 V HN 2.108 nan 8.190 nan 0.000 0.438 350 A N 2.905 125.657 122.820 -0.115 0.000 2.606 350 A HA 1.038 5.359 4.320 0.000 0.000 0.293 350 A C -3.309 174.119 177.584 -0.259 0.000 1.082 350 A CA -1.564 50.366 52.037 -0.180 0.000 0.685 350 A CB 1.953 20.919 19.000 -0.058 0.000 1.284 350 A HN 0.788 nan 8.150 nan 0.000 0.408 351 P HA 0.369 nan 4.420 nan 0.000 0.275 351 P C -0.694 176.467 177.300 -0.231 0.000 1.227 351 P CA 0.199 63.058 63.100 -0.403 0.000 0.781 351 P CB 0.324 31.627 31.700 -0.660 0.000 0.906 352 I N 5.825 126.292 120.570 -0.171 0.000 2.278 352 I HA 0.105 4.275 4.170 0.000 0.000 0.296 352 I C -1.080 174.980 176.117 -0.094 0.000 1.121 352 I CA -1.913 59.323 61.300 -0.108 0.000 1.267 352 I CB 0.586 38.533 38.000 -0.089 0.000 1.447 352 I HN 0.269 nan 8.210 nan 0.000 0.509 353 P HA -0.341 nan 4.420 nan 0.000 0.222 353 P C 1.443 178.723 177.300 -0.033 0.000 1.147 353 P CA 1.608 64.687 63.100 -0.034 0.000 0.958 353 P CB 0.153 31.852 31.700 -0.002 0.000 0.788 354 E N -0.276 119.906 120.200 -0.029 0.000 2.072 354 E HA -0.245 4.105 4.350 0.000 0.000 0.218 354 E C 2.114 178.693 176.600 -0.035 0.000 1.051 354 E CA 1.945 58.330 56.400 -0.025 0.000 0.880 354 E CB -0.835 28.850 29.700 -0.024 0.000 0.783 354 E HN 0.108 nan 8.360 nan 0.000 0.473 355 L N 0.192 121.386 121.223 -0.049 0.000 2.021 355 L HA -0.253 4.088 4.340 0.000 0.000 0.215 355 L C 2.912 179.736 176.870 -0.076 0.000 1.074 355 L CA 1.213 56.016 54.840 -0.062 0.000 0.760 355 L CB -0.676 41.336 42.059 -0.078 0.000 0.889 355 L HN 0.357 nan 8.230 nan 0.000 0.433 356 L N -0.083 121.084 121.223 -0.094 0.000 2.079 356 L HA -0.225 4.115 4.340 0.000 0.000 0.210 356 L C 2.072 178.910 176.870 -0.054 0.000 1.081 356 L CA 1.871 56.648 54.840 -0.105 0.000 0.752 356 L CB -0.808 41.165 42.059 -0.144 0.000 0.896 356 L HN 0.259 nan 8.230 nan 0.000 0.433 357 D N -0.657 119.725 120.400 -0.031 0.000 2.183 357 D HA -0.165 4.475 4.640 0.000 0.000 0.203 357 D C 1.963 178.256 176.300 -0.011 0.000 0.969 357 D CA 1.051 55.046 54.000 -0.009 0.000 0.842 357 D CB 0.077 40.877 40.800 0.001 0.000 0.957 357 D HN 0.541 nan 8.370 nan 0.000 0.484 358 E N 0.435 120.623 120.200 -0.020 0.000 2.058 358 E HA -0.143 4.207 4.350 0.000 0.000 0.194 358 E C 2.222 178.812 176.600 -0.016 0.000 0.997 358 E CA 1.293 57.684 56.400 -0.016 0.000 0.801 358 E CB 0.161 29.849 29.700 -0.021 0.000 0.746 358 E HN 0.218 nan 8.360 nan 0.000 0.450 359 V N -1.235 118.660 119.914 -0.031 0.000 3.541 359 V HA 0.045 4.166 4.120 0.000 0.000 0.267 359 V C 0.859 176.940 176.094 -0.022 0.000 1.213 359 V CA 0.195 62.474 62.300 -0.036 0.000 1.149 359 V CB -0.156 31.625 31.823 -0.071 0.000 0.822 359 V HN -0.055 nan 8.190 nan 0.000 0.462 360 T N 1.450 115.998 114.554 -0.011 0.000 2.919 360 T HA 0.284 4.635 4.350 0.000 0.000 0.302 360 T C 1.094 175.804 174.700 0.015 0.000 1.031 360 T CA 0.873 62.978 62.100 0.009 0.000 1.127 360 T CB 1.411 70.294 68.868 0.024 0.000 0.952 360 T HN 0.476 nan 8.240 nan 0.000 0.540 361 T N 1.178 115.745 114.554 0.023 0.000 2.999 361 T HA 0.535 4.885 4.350 0.000 0.000 0.247 361 T C 0.574 175.292 174.700 0.030 0.000 1.012 361 T CA 0.276 62.391 62.100 0.025 0.000 1.048 361 T CB 0.386 69.270 68.868 0.027 0.000 1.020 361 T HN 0.780 nan 8.240 nan 0.000 0.478 362 A N 0.840 123.681 122.820 0.035 0.000 2.568 362 A HA 0.828 5.148 4.320 0.000 0.000 0.291 362 A C -1.582 176.030 177.584 0.047 0.000 1.159 362 A CA -0.709 51.351 52.037 0.038 0.000 0.679 362 A CB 1.639 20.661 19.000 0.036 0.000 1.285 362 A HN 0.052 nan 8.150 nan 0.000 0.428 363 K N 0.281 120.710 120.400 0.049 0.000 2.594 363 K HA 0.485 4.805 4.320 0.000 0.000 0.262 363 K C -2.378 174.262 176.600 0.065 0.000 0.954 363 K CA -0.265 56.059 56.287 0.063 0.000 0.917 363 K CB 1.492 34.036 32.500 0.074 0.000 1.343 363 K HN 0.761 nan 8.250 nan 0.000 0.428 364 V N 3.921 123.873 119.914 0.063 0.000 2.876 364 V HA 0.578 4.699 4.120 0.000 0.000 0.312 364 V C -0.850 175.303 176.094 0.098 0.000 1.085 364 V CA -0.909 61.430 62.300 0.065 0.000 0.945 364 V CB 2.055 33.879 31.823 0.000 0.000 1.017 364 V HN 0.761 nan 8.190 nan 0.000 0.428 365 W N 5.869 127.136 121.300 -0.055 0.000 2.475 365 W HA 0.727 5.387 4.660 0.000 0.000 0.317 365 W C -1.817 174.652 176.519 -0.083 0.000 1.046 365 W CA -0.926 56.379 57.345 -0.066 0.000 1.215 365 W CB 1.469 30.895 29.460 -0.056 0.000 1.335 365 W HN 0.495 nan 8.180 nan 0.000 0.471 366 I N 6.977 126.892 120.570 -1.092 0.000 2.355 366 I HA 0.550 4.720 4.170 0.000 0.000 0.288 366 I C 0.597 175.944 176.117 -1.284 0.000 0.999 366 I CA -0.343 60.418 61.300 -0.897 0.000 1.163 366 I CB 1.235 38.896 38.000 -0.565 0.000 1.316 366 I HN 0.487 nan 8.210 nan 0.000 0.454 367 G N 0.000 108.388 108.800 -0.687 0.000 5.446 367 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 367 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 367 G CA 0.000 44.982 45.100 -0.196 0.000 0.502 367 G HN 0.000 nan 8.290 nan 0.000 0.925